N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8223 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 580.66 |
| Molecular Formula: | C32 H28 N4 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2cccc(c2)OC)nnc1SCc1cccc(c1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8568 |
| logD: | 5.8568 |
| logSw: | -5.5413 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.329 |
| InChI Key: | HLKOVSMSYWYHPJ-UHFFFAOYSA-N |