propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 4094-0183 |
| Compound Name: | propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 431.9 |
| Molecular Formula: | C19 H18 Cl N5 O3 S |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CSc1nnnn1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1856 |
| logD: | 4.1855 |
| logSw: | -4.4785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.471 |
| InChI Key: | RPUXIXAWIKOOJY-UHFFFAOYSA-N |