N-(5-chloro-2-methoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-chloro-2-methoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0180 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)OC)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0708 |
| logD: | 4.0678 |
| logSw: | -4.5035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.212 |
| InChI Key: | HDSFFLZEBQFBKH-UHFFFAOYSA-N |