Chemical Properties of tetroxoprim (CAS 53808-87-0)

tetroxoprim

InChI
InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChI Key
WSWJIZXMAUYHOE-UHFFFAOYSA-N
Formula
C16H22N4O4
SMILES
COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Molecular Weight1
334.37
CAS
53808-87-0
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Physical Properties

Property Value Unit Source
ω 1.0218 Relay (1.0) Calculated Property
Δf 114.66 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -377.64 kJ/mol Relay (1.0) Calculated Property
Δvap 131.68 kJ/mol Relay (1.0) Calculated Property
IE 7.96 eV Relay (1.0) Calculated Property
log10WS -2.10 Aq. Solubility Prediction
logPoct/wat 1.274 Crippen Calculated Property
McVol 252.180 ml/mol McGowan Calculated Property
Pc 1566.33 kPa Relay (1.0-beta) Calculated Property
Tboil 695.96 K Relay (1.0) Calculated Property
Tc 986.19 K Relay (1.0) Calculated Property
Tfus 427.40 K Aq. Solubility Prediction
Vc 0.906 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 46.36 kJ/mol 423.30 NIST

Similar Compounds

Trimethoprim. brodimoprim. 7-(2-Methylbutyryl)-9-echimidinylretronecine. Atropine, picolinyloxydimethylsilyl ether. Moexipril desethyl 3Me (Moexprilate 3Me). Argentamin. Baptifoline. cyclomegistine. Moexipril Me. Epibaptifoline. 5,6-Dihydrouracil riboside, TMS. risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. N-Desmethylmirtazapine.

Find more compounds similar to tetroxoprim.

Sources

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