4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-8729 |
| Compound Name: | 4-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(pyridin-4-yl)methyl]benzamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C30 H27 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1c1ccc(C)cc1)SCc1ccc(cc1)C(NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0992 |
| logD: | 5.0959 |
| logSw: | -4.6646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.554 |
| InChI Key: | SYPWIBFZYGKBFF-UHFFFAOYSA-N |