5-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Chemical Structure Depiction of
5-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
5-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
Compound characteristics
| Compound ID: | S413-0264 |
| Compound Name: | 5-ethyl-3-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1719 |
| logD: | 3.163 |
| logSw: | -3.3935 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.998 |
| InChI Key: | YRIIRILGMWZVDU-QHCPKHFHSA-N |