rel-(5aR,9aR)-8-(4-fluorobenzene-1-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(4-fluorobenzene-1-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-8-(4-fluorobenzene-1-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0469 |
| Compound Name: | rel-(5aR,9aR)-8-(4-fluorobenzene-1-sulfonyl)-1,4-dimethyloctahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 369.41 |
| Molecular Formula: | C16 H20 F N3 O4 S |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | -0.0005 |
| logD: | -0.0005 |
| logSw: | -2.4811 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.331 |
| InChI Key: | JWVOIVFEYSGOLG-KBPBESRZSA-N |