methyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]alaninate
Chemical Structure Depiction of
methyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]alaninate
methyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]alaninate
Compound characteristics
| Compound ID: | G589-0448 |
| Compound Name: | methyl N-[4-(1-ethyl-1H-indole-5-sulfonyl)-1,4-diazepane-1-carbonyl]alaninate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C20 H28 N4 O5 S |
| Smiles: | CCn1ccc2cc(ccc12)S(N1CCCN(CC1)C(NC(C)C(=O)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9341 |
| logD: | 1.9341 |
| logSw: | -2.7801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.324 |
| InChI Key: | XHUAPMYLXSWCAZ-HNNXBMFYSA-N |