N-(3-chlorophenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-chlorophenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0248 |
| Compound Name: | N-(3-chlorophenyl)-2-({4-(4-fluorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C22 H19 Cl F N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)F)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6182 |
| logD: | 4.6181 |
| logSw: | -4.6404 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.736 |
| InChI Key: | BNTCMRQEOYARDY-UHFFFAOYSA-N |