methyl 3-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | G589-0453 |
| Compound Name: | methyl 3-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C22 H26 N4 O5 S2 |
| Smiles: | CCn1ccc2cc(ccc12)S(N1CCCN(CC1)C(Nc1ccsc1C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0566 |
| logD: | 3.0548 |
| logSw: | -3.4792 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.887 |
| InChI Key: | ONFKMXXZDBOKCQ-UHFFFAOYSA-N |