3-(3-chlorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(3-chlorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(3-chlorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C746-0704 |
| Compound Name: | 3-(3-chlorophenyl)-4-(2-methylpropyl)-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 400.95 |
| Molecular Formula: | C20 H17 Cl N2 O S2 |
| Smiles: | CC(C)CN1C2=C(c3cccc(c3)[Cl])SC(N2c2ccccc2C1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 5.8492 |
| logD: | 5.8492 |
| logSw: | -5.8299 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 18.0595 |
| InChI Key: | WFDMUQFLZHWBEP-UHFFFAOYSA-N |