N-(4-butylphenyl)-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-(4-butylphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(4-butylphenyl)-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: | C677-0170 |
| Compound Name: | N-(4-butylphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C27 H31 N5 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc(Cc2cccn2C)n1c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7871 |
| logD: | 5.7871 |
| logSw: | -5.3251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.28 |
| InChI Key: | HOVZZZJPNLYTCP-UHFFFAOYSA-N |