methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0527 |
| Compound Name: | methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCCCCC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.407 |
| logD: | 4.407 |
| logSw: | -4.5491 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.716 |
| InChI Key: | IKFAQIWCONIQBD-UHFFFAOYSA-N |