ethyl 4-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
ethyl 4-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G589-0413 |
| Compound Name: | ethyl 4-{[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | CCn1ccc2cc(ccc12)S(N1CCCN(CC1)C(Nc1ccc(cc1)C(=O)OCC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8436 |
| logD: | 3.8436 |
| logSw: | -3.9076 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.146 |
| InChI Key: | JOXALDMGGZTWND-UHFFFAOYSA-N |