3-(3,4-dichlorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
3-(3,4-dichlorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | C200-9344 |
| Compound Name: | 3-(3,4-dichlorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-5(4H)-one |
| Molecular Weight: | 490.43 |
| Molecular Formula: | C22 H17 Cl2 N3 O2 S2 |
| Smiles: | C1CCN(C1)C(CN1C2=C(c3ccc(c(c3)[Cl])[Cl])SC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9465 |
| logD: | 4.9465 |
| logSw: | -5.1191 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 34.546 |
| InChI Key: | BKZQBATUXRNQCI-UHFFFAOYSA-N |