ethyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]-beta-alaninate
Chemical Structure Depiction of
ethyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]-beta-alaninate
ethyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | G589-0456 |
| Compound Name: | ethyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]-beta-alaninate |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C21 H30 N4 O5 S |
| Smiles: | CCn1ccc2cc(ccc12)S(N1CCCN(CC1)C(NCCC(=O)OCC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9846 |
| logD: | 1.9846 |
| logSw: | -2.8684 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.987 |
| InChI Key: | KDBQATGZPDSYCY-UHFFFAOYSA-N |