Chemical Properties of brodimoprim (CAS 56518-41-3)

brodimoprim

InChI
InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)
InChI Key
BFCRRLMMHNLSCP-UHFFFAOYSA-N
Formula
C13H15Cl2N3
SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br
Molecular Weight1
284.18
CAS
56518-41-3
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Physical Properties

Property Value Unit Source
ω 0.8579 Relay (1.0) Calculated Property
ΔfG° 252.78 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -69.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 128.46 kJ/mol Relay (1.0) Calculated Property
IE 7.97 eV Relay (1.0) Calculated Property
log10WS -4.27 Relay (1.0) Calculated Property
logPoct/wat 2.012 Crippen Calculated Property
McVol 215.670 ml/mol McGowan Calculated Property
Pc 2385.74 kPa Relay (1.0-beta) Calculated Property
Tboil 678.29 K Relay (1.0) Calculated Property
Tc 994.84 K Relay (1.0) Calculated Property
Tfus 431.31 K Relay (1.0) Calculated Property
Vc 0.756 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 49.90 kJ/mol 505.40 NIST

Similar Compounds

Trimethoprim. tetroxoprim. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. Carteolol, acetylated. Argentamin. risperidone. Baptifoline. cyclomegistine. Moexipril Me. Hydroxy-N-methylcytisine. Epibaptifoline. 5,6-Dihydrouracil riboside, TMS. Moexipril desethyl 3Me (Moexprilate 3Me). 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Tetrabenazine M (desmethyl-HO-), monoacetylated.

Find more compounds similar to brodimoprim.

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