5-{[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1207 |
| Compound Name: | 5-{[(2-{[3-(azepan-1-yl)butyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 475.67 |
| Molecular Formula: | C23 H33 N5 O2 S2 |
| Smiles: | CC(CCNC(CSCc1nnc(C(Nc2ccccc2C)=O)s1)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0803 |
| logD: | 0.0899 |
| logSw: | -3.1687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.644 |
| InChI Key: | UBIUNZDRGGPHCP-SFHVURJKSA-N |