rel-(5aR,9aS)-7-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0569 |
| Compound Name: | rel-(5aR,9aS)-7-(2,3-dihydro-1H-indene-5-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | CN1CC(N(C)[C@@H]2CCN(C[C@@H]2C1=O)S(c1ccc2CCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8488 |
| logD: | 0.8488 |
| logSw: | -2.4995 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.618 |
| InChI Key: | NLRSBGKDQYMMDM-IAGOWNOFSA-N |