methyl 5-[(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)amino]-3-ethoxy-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 5-[(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)amino]-3-ethoxy-1-benzothiophene-2-carboxylate
methyl 5-[(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)amino]-3-ethoxy-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L312-0097 |
| Compound Name: | methyl 5-[(4,5-dihydro-1H-benzo[g]indazole-3-carbonyl)amino]-3-ethoxy-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CCOc1c2cc(ccc2sc1C(=O)OC)NC(c1c2CCc3ccccc3c2[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2852 |
| logD: | 5.285 |
| logSw: | -5.3352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.589 |
| InChI Key: | LPVGJYJCYIOKGH-UHFFFAOYSA-N |