6-bromo-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4041 |
| Compound Name: | 6-bromo-3-({4-[4-(4-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: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9503 |
| logD: | 4.9285 |
| logSw: | -4.571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.77 |
| InChI Key: | NHTPFPOIURESBS-UHFFFAOYSA-N |