ethyl 2-{[5-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1H-indole-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1H-indole-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1H-indole-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C800-0295 |
| Compound Name: | ethyl 2-{[5-(4-methylpiperidine-1-sulfonyl)-2,3-dihydro-1H-indole-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 531.69 |
| Molecular Formula: | C26 H33 N3 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(N1CCc2cc(ccc12)S(N1CCC(C)CC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4646 |
| logD: | 3.6352 |
| logSw: | -5.4442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.918 |
| InChI Key: | NBKFRQOCQHBLBA-UHFFFAOYSA-N |