3-{2-[(4-chlorophenyl)sulfanyl]ethyl}-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{2-[(4-chlorophenyl)sulfanyl]ethyl}-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{2-[(4-chlorophenyl)sulfanyl]ethyl}-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | Y600-2997 |
| Compound Name: | 3-{2-[(4-chlorophenyl)sulfanyl]ethyl}-6,7-dimethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 408.92 |
| Molecular Formula: | C18 H17 Cl N2 O3 S2 |
| Smiles: | COc1cc2C(N(CCSc3ccc(cc3)[Cl])C(Nc2cc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0247 |
| logD: | 4.0028 |
| logSw: | -4.5107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.557 |
| InChI Key: | PZKYCMABCQMQAM-UHFFFAOYSA-N |