N-(2-{cyclopentyl[(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-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(2-{cyclopentyl[(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: | C660-0335 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(NCCN(Cc1ccco1)C1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7409 |
| logD: | 2.5834 |
| logSw: | -3.4683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.916 |
| InChI Key: | RXLXEMZAOSALLF-UHFFFAOYSA-N |