ethyl {2-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl}acetate
Chemical Structure Depiction of
ethyl {2-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl}acetate
ethyl {2-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl}acetate
Compound characteristics
| Compound ID: | Y043-4750 |
| Compound Name: | ethyl {2-[(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl}acetate |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C16 H20 N4 O3 S |
| Smiles: | CCOC(Cc1csc(NC(c2c3CCCCCc3[nH]n2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.099 |
| logD: | 3.0632 |
| logSw: | -3.2696 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.314 |
| InChI Key: | LYNRLZQAJMVKHI-UHFFFAOYSA-N |