N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C066-3593 |
| Compound Name: | N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C27 H34 N4 O3 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(NCCCN(Cc1ccco1)C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9595 |
| logD: | 1.6556 |
| logSw: | -3.5794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.916 |
| InChI Key: | WPJKIZYGZPKGNM-UHFFFAOYSA-N |