N-[(4-cyclohexyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-cyclohexyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-cyclohexyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1969 |
| Compound Name: | N-[(4-cyclohexyl-5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2977 |
| logD: | 4.2977 |
| logSw: | -4.1218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.9 |
| InChI Key: | IENKFLRROPEETL-UHFFFAOYSA-N |