2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3818 |
| Compound Name: | 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccco3)C(=Nc2c1)SCC(N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4885 |
| logD: | 2.4885 |
| logSw: | -3.0526 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.112 |
| InChI Key: | XFEXXPJBMKAFSB-UHFFFAOYSA-N |