N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0298 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C24 H27 N3 O4 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8446 |
| logD: | 2.8445 |
| logSw: | -3.5198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.493 |
| InChI Key: | MKPJVNNHUJQUOO-QFIPXVFZSA-N |