ethyl 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
ethyl 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate
ethyl 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y501-5674 |
| Compound Name: | ethyl 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(C(=O)OCC)n(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9558 |
| logD: | -0.4186 |
| logSw: | -3.3977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.068 |
| InChI Key: | CSDWRQIRXZMAPT-UHFFFAOYSA-N |