5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1185 |
| Compound Name: | 5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 461.65 |
| Molecular Formula: | C22 H31 N5 O2 S2 |
| Smiles: | Cc1ccccc1NC(c1nnc(CSCC(NCCCN2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8663 |
| logD: | 0.2377 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.986 |
| InChI Key: | NQMWQSDLHGNSLV-UHFFFAOYSA-N |