N-(butan-2-yl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(butan-2-yl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V005-0669 |
| Compound Name: | N-(butan-2-yl)-4-({[4-(2-methoxyphenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 502.64 |
| Molecular Formula: | C28 H30 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(c1ccc(CSc2nnc(c3cccc(c3)OC)n2c2ccccc2OC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.726 |
| logD: | 4.726 |
| logSw: | -4.393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.712 |
| InChI Key: | RLNFCWDOJCRRGD-IBGZPJMESA-N |