ethyl 4-[({[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetyl)(butyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetyl)(butyl)amino]benzoate
ethyl 4-[({[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetyl)(butyl)amino]benzoate
Compound characteristics
| Compound ID: | 8013-9382 |
| Compound Name: | ethyl 4-[({[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}acetyl)(butyl)amino]benzoate |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C23 H25 N5 O5 S |
| Smiles: | CCCCN(C(CSc1nnnn1c1ccc2c(c1)OCO2)=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.8672 |
| logD: | 4.8672 |
| logSw: | -4.5358 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.103 |
| InChI Key: | HKMWSOPDMKQALA-UHFFFAOYSA-N |