N-(2-methylphenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F499-1046 |
Compound Name: | N-(2-methylphenyl)-5-{[(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 413.52 |
Molecular Formula: | C19 H19 N5 O2 S2 |
Smiles: | Cc1ccccc1NC(c1nnc(CSCC(NCc2cccnc2)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 1.999 |
logD: | 1.9965 |
logSw: | -1.8363 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.349 |
InChI Key: | NJZFUPORKDLIKA-UHFFFAOYSA-N |