ethyl 4-(2-{[1-(3-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[1-(3-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[1-(3-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8013-7816 |
| Compound Name: | ethyl 4-(2-{[1-(3-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C18 H16 Cl N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnnn1c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1311 |
| logD: | 4.131 |
| logSw: | -4.3452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.792 |
| InChI Key: | KVXPAVMNDPGUKU-UHFFFAOYSA-N |