methyl 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 5417-0915 |
| Compound Name: | methyl 4-(5-{[(4-chlorophenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 360.82 |
| Molecular Formula: | C16 H13 Cl N4 O2 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9052 |
| logD: | 3.9052 |
| logSw: | -4.4344 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.063 |
| InChI Key: | WMUPAGRVTBJKQN-UHFFFAOYSA-N |