3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4037 |
| Compound Name: | 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 549.49 |
| Molecular Formula: | C27 H25 Br N4 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5274 |
| logD: | 4.4902 |
| logSw: | -4.2764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.507 |
| InChI Key: | ROWZDAAYQIPPJZ-UHFFFAOYSA-N |