3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061121 |
| Compound Name: | 3-[(3-bromophenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C26 H23 Br N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7532 |
| logD: | 4.7531 |
| logSw: | -4.7039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.227 |
| InChI Key: | CDMWDBMCGWHTKA-UHFFFAOYSA-N |