3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Chemical Structure Depiction of
3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Compound characteristics
| Compound ID: | V014-0120 |
| Compound Name: | 3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1cccc(CSc2nnc(c3ccco3)n2Cc2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2043 |
| logD: | 4.2043 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.948 |
| InChI Key: | PVMIXDZBSDCJMI-UHFFFAOYSA-N |