N-cycloheptyl-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-cycloheptyl-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-cycloheptyl-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0275 |
| Compound Name: | N-cycloheptyl-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C22 H31 N3 O2 |
| Smiles: | CN1C2CCCCCN2C(c2ccc(cc12)C(NC1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.745 |
| logD: | 3.745 |
| logSw: | -3.9664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.089 |
| InChI Key: | YBAUBIAVJBUASP-FQEVSTJZSA-N |