ethyl 4-[butyl({[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[butyl({[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
ethyl 4-[butyl({[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate
Compound characteristics
| Compound ID: | 8013-9196 |
| Compound Name: | ethyl 4-[butyl({[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]benzoate |
| Molecular Weight: | 481.62 |
| Molecular Formula: | C25 H31 N5 O3 S |
| Smiles: | CCCCN(C(CSc1nnnn1c1c(C)cc(C)cc1C)=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.7252 |
| logD: | 6.7252 |
| logSw: | -5.5285 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.386 |
| InChI Key: | KKYLEOCKEQIMPO-UHFFFAOYSA-N |