Chemical Properties of 4-Oxo-2-pyridinium-3-(2,4,6-trioxo-1,3-diazacyclohexylidene-5)-1-naphthoxide

4-Oxo-2-pyridinium-3-(2,4,6-trioxo-1,3-diazacyclohexylidene-5)-1-naphthoxide

InChI
InChI=1S/C19H11N3O5/c23-15-10-6-2-3-7-11(10)16(24)14(22-8-4-1-5-9-22)12(15)13-17(25)20-19(27)21-18(13)26/h1-9H,(H2-,20,21,24,25,26,27)
InChI Key
YHKWODVVNQKJRA-UHFFFAOYSA-N
Formula
C19H11N3O5
SMILES
O=C1NC(=O)C(=C2C(=O)c3ccccc3C([O-])=C2[n+]2ccccc2)C(=O)N1
Molecular Weight1
361.31
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Physical Properties

Property Value Unit Source
ω 0.8449 Relay (1.0) Calculated Property
ΔfG° -47.42 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -300.51 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 126.01 kJ/mol Relay (1.0) Calculated Property
IE 7.97 eV Relay (1.0) Calculated Property
log10WS -3.88 Relay (1.0) Calculated Property
logPoct/wat -0.481 Crippen Calculated Property
McVol 242.820 ml/mol McGowan Calculated Property
Pc 2279.57 kPa Relay (1.0-beta) Calculated Property
Tboil 713.24 K Relay (1.0) Calculated Property
Tc 1182.82 K Relay (1.0) Calculated Property
Tfus 580.20 K Relay (1.0) Calculated Property
Vc 0.817 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

ethyl eburnamenine-14-carboxylate. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 4-Oxo-2-pyridinium-3-(2,4,6-trioxo-1,3-diazacyclohexylidene-5)-1-naphthoxide.

Sources

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