ethyl 5-({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate
ethyl 5-({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3727 |
| Compound Name: | ethyl 5-({3-[(2-methoxyethoxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Smiles: | CCOC(c1cc(C(Nc2c(C(=O)OCCOC)c3CCCCc3s2)=O)n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0316 |
| logD: | -2.2218 |
| logSw: | -2.7933 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.704 |
| InChI Key: | LBODGVSNPKGVEI-UHFFFAOYSA-N |