methyl 3-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V008-0446 |
| Compound Name: | methyl 3-({[4-(3-chlorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3ccco3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9328 |
| logD: | 4.9327 |
| logSw: | -5.0502 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.465 |
| InChI Key: | VZGAHJLAGDRRRI-UHFFFAOYSA-N |