6-bromo-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4040 |
| Compound Name: | 6-bromo-3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 565.49 |
| Molecular Formula: | C27 H25 Br N4 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8471 |
| logD: | 4.8253 |
| logSw: | -4.4559 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.556 |
| InChI Key: | FBUVZOQOWWEZNP-UHFFFAOYSA-N |