1-{4-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{4-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]phenyl}ethan-1-one
1-{4-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | C431-0082 |
| Compound Name: | 1-{4-[(6,7-dimethoxy-2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]phenyl}ethan-1-one |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C18 H17 N3 O3 S |
| Smiles: | CC(c1ccc(cc1)NC1c2cc(c(cc2NC(N=1)=S)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5047 |
| logD: | 1.6306 |
| logSw: | -3.1035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.827 |
| InChI Key: | DTNISAVQWDRFDU-UHFFFAOYSA-N |