methyl 4-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3448-5992 |
| Compound Name: | methyl 4-(5-{[(2-methylphenyl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | Cc1ccccc1CSc1nnnn1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3882 |
| logD: | 4.3882 |
| logSw: | -4.3271 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.063 |
| InChI Key: | URQJMMIHWAECHR-UHFFFAOYSA-N |