3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinazolin-4(3H)-one
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C066-1285 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C27 H33 N5 O4 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)C(N(CC(N1CCN(CC1)Cc1ccccc1)=O)C=N2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0196 |
| logD: | 2.0042 |
| logSw: | -3.0496 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.983 |
| InChI Key: | UVJRWRRZBVAHSG-UHFFFAOYSA-N |