N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C592-3185 |
| Compound Name: | N-{[5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C26 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2ccccc2)=O)n1c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3164 |
| logD: | 4.3164 |
| logSw: | -4.3042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.523 |
| InChI Key: | OSDOMWSKZMDQPB-UHFFFAOYSA-N |