ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1646 |
| Compound Name: | ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C22 H28 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1cc(C(N2CCOCC2)=O)nn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4813 |
| logD: | -2.276 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.202 |
| InChI Key: | KSWRPRHVHIEEOM-UHFFFAOYSA-N |