6-bromo-3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4036 |
| Compound Name: | 6-bromo-3-({4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 553.43 |
| Molecular Formula: | C25 H21 Br N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4192 |
| logD: | 3.3975 |
| logSw: | -3.7561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.001 |
| InChI Key: | HWDQYEYPHYZOLS-UHFFFAOYSA-N |