5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0274 |
| Compound Name: | 5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C21 H26 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CSCC(NCCC2CCCCC=2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8022 |
| logD: | 3.8021 |
| logSw: | -3.8086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.563 |
| InChI Key: | BGAHXCOZMONXGB-UHFFFAOYSA-N |