4-[4-(4-chlorophenoxy)anilino]-6,7-dimethoxyquinazoline-2(1H)-thione
Chemical Structure Depiction of
4-[4-(4-chlorophenoxy)anilino]-6,7-dimethoxyquinazoline-2(1H)-thione
4-[4-(4-chlorophenoxy)anilino]-6,7-dimethoxyquinazoline-2(1H)-thione
Compound characteristics
| Compound ID: | C431-0085 |
| Compound Name: | 4-[4-(4-chlorophenoxy)anilino]-6,7-dimethoxyquinazoline-2(1H)-thione |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | COc1cc2C(Nc3ccc(cc3)Oc3ccc(cc3)[Cl])=NC(Nc2cc1OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.276 |
| logD: | 4.4019 |
| logSw: | -5.9733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.748 |
| InChI Key: | KNNJQMHONIENKK-UHFFFAOYSA-N |