methyl 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
methyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 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: | Y501-1643 |
| Compound Name: | methyl 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: | 446.52 |
| Molecular Formula: | C21 H26 N4 O5 S |
| Smiles: | Cn1c(cc(C(N2CCOCC2)=O)n1)C(Nc1c(C(=O)OC)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.099 |
| logD: | -2.6583 |
| logSw: | -2.8358 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.622 |
| InChI Key: | FVNBLWCUPWTHSC-UHFFFAOYSA-N |