3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0932 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 535.02 |
| Molecular Formula: | C27 H23 Cl N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4971 |
| logD: | 4.4969 |
| logSw: | -4.6296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.342 |
| InChI Key: | QSSUMWFDRBHPQK-UHFFFAOYSA-N |