3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G345-0533 |
| Compound Name: | 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 545.61 |
| Molecular Formula: | C31 H32 F N3 O5 |
| Smiles: | COc1cc2C(N(Cc3ccc(cc3)C(N3CCCCCC3)=O)C(N(Cc3ccccc3F)c2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2406 |
| logD: | 5.2406 |
| logSw: | -5.0007 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.507 |
| InChI Key: | WZSHZJNQJWKFOB-UHFFFAOYSA-N |