N-cyclohexyl-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
N-cyclohexyl-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
Compound characteristics
| Compound ID: | D583-0773 |
| Compound Name: | N-cyclohexyl-2-[(4-ethyl-5-{[(methanesulfonyl)(phenyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide |
| Molecular Weight: | 465.64 |
| Molecular Formula: | C21 H31 N5 O3 S2 |
| Smiles: | CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(N(C)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5492 |
| logD: | 2.5492 |
| logSw: | -2.4995 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.477 |
| InChI Key: | PBTFVZAEFHWAEM-UHFFFAOYSA-N |