methyl 2-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0988 |
| Compound Name: | methyl 2-(4-benzylpiperazin-1-yl)-3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C28 H27 F N4 O3 |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)F)C(=Nc2c1)N1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2083 |
| logD: | 3.0926 |
| logSw: | -4.2402 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.537 |
| InChI Key: | BUUMTAAMIPCYCK-UHFFFAOYSA-N |