3-(1H-tetrazol-1-yl)phenyl 3-methylbenzoate
Chemical Structure Depiction of
3-(1H-tetrazol-1-yl)phenyl 3-methylbenzoate
3-(1H-tetrazol-1-yl)phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | D453-0639 |
| Compound Name: | 3-(1H-tetrazol-1-yl)phenyl 3-methylbenzoate |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C15 H12 N4 O2 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1cccc(c1)n1cnnn1 |
| Stereo: | ACHIRAL |
| logP: | 2.7619 |
| logD: | 2.7619 |
| logSw: | -3.0488 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.382 |
| InChI Key: | NCQRKCRVYTZXAM-UHFFFAOYSA-N |