N-[(furan-2-yl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-1648 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-({[4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC(C)c1nnc(n1CCOC)SCc1ccc(cc1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1351 |
| logD: | 3.135 |
| logSw: | -3.244 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.995 |
| InChI Key: | KFWXWWNESSBSJB-UHFFFAOYSA-N |