ethyl 2-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-3369 |
| Compound Name: | ethyl 2-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazole-4-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C31 H35 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cn(c2ccccc2)nc1C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4149 |
| logD: | 4.0615 |
| logSw: | -5.6881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.464 |
| InChI Key: | XBXIDKXRXVCYQB-UHFFFAOYSA-N |