5-ethyl-3-(pyrrolidine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
5-ethyl-3-(pyrrolidine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
5-ethyl-3-(pyrrolidine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0178 |
| Compound Name: | 5-ethyl-3-(pyrrolidine-1-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C20 H27 N3 O2 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5817 |
| logD: | 2.5817 |
| logSw: | -3.0985 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.592 |
| InChI Key: | RQUGXCOZSRUPTD-SFHVURJKSA-N |