6-bromo-3-{[4-(morpholine-4-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{[4-(morpholine-4-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{[4-(morpholine-4-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3978 |
| Compound Name: | 6-bromo-3-{[4-(morpholine-4-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 460.35 |
| Molecular Formula: | C20 H18 Br N3 O3 S |
| Smiles: | C1COCCN1C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0524 |
| logD: | 3.0306 |
| logSw: | -3.4571 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.875 |
| InChI Key: | JGNCPLLVFWNWRH-UHFFFAOYSA-N |