N-(butan-2-yl)-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7404 |
| Compound Name: | N-(butan-2-yl)-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 473.04 |
| Molecular Formula: | C24 H29 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccc(CSc2nnc(c3ccccc3[Cl])n2C(C)COC)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9308 |
| logD: | 3.9308 |
| logSw: | -4.3436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.451 |
| InChI Key: | MRWISHIVQXIERI-UHFFFAOYSA-N |