6-bromo-3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4025 |
| Compound Name: | 6-bromo-3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 506.42 |
| Molecular Formula: | C25 H20 Br N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0804 |
| logD: | 5.0586 |
| logSw: | -5.1169 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.628 |
| InChI Key: | OJVNRAYNDGHYHX-UHFFFAOYSA-N |