4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Chemical Structure Depiction of
4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Compound characteristics
| Compound ID: | V025-5777 |
| Compound Name: | 4-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C27 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1ccc(cc1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1699 |
| logD: | 4.1699 |
| logSw: | -4.3235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.702 |
| InChI Key: | YOUHLBXSIUOSLC-UHFFFAOYSA-N |