N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3609 |
| Compound Name: | N-(2-{butyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C25 H32 N4 O3 |
| Smiles: | CCCCN(CCNC(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)Cc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.0451 |
| logD: | 2.9477 |
| logSw: | -3.4554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.663 |
| InChI Key: | UPKQVZVAQWMNPI-UHFFFAOYSA-N |