methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | M124-0641 |
| Compound Name: | methyl 3-(2H-1,3-benzodioxol-5-yl)-4-oxo-2-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C27 H24 N4 O5 |
| Smiles: | COC(c1ccc2C(N(C(=Nc2c1)N1CCN(CC1)c1ccccc1)c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8628 |
| logD: | 3.8611 |
| logSw: | -4.0057 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.761 |
| InChI Key: | YKXXZQYMEVROHK-UHFFFAOYSA-N |