ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1641 |
| Compound Name: | ethyl 2-{[1-methyl-3-(morpholine-4-carbonyl)-1H-pyrazole-5-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C21 H26 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(C(N2CCOCC2)=O)nn1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9854 |
| logD: | -2.7719 |
| logSw: | -2.8194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.871 |
| InChI Key: | MATWVDOHGFRCJH-UHFFFAOYSA-N |