methyl 4-(5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3173-0226 |
| Compound Name: | methyl 4-(5-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cc1ccc2ccccc2c1CSc1nnnn1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4808 |
| logD: | 5.4808 |
| logSw: | -6.5377 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.791 |
| InChI Key: | UGKSNBGVTZSPFG-UHFFFAOYSA-N |