5-ethyl-3-(thiomorpholine-4-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
5-ethyl-3-(thiomorpholine-4-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
5-ethyl-3-(thiomorpholine-4-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0382 |
| Compound Name: | 5-ethyl-3-(thiomorpholine-4-carbonyl)-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 373.52 |
| Molecular Formula: | C20 H27 N3 O2 S |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(N1CCSCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2938 |
| logD: | 2.2938 |
| logSw: | -2.8535 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.227 |
| InChI Key: | CUFZZVDWYODCIR-SFHVURJKSA-N |