N-butyl-2-[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-butyl-2-[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide
N-butyl-2-[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | C200-9313 |
| Compound Name: | N-butyl-2-[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide |
| Molecular Weight: | 458 |
| Molecular Formula: | C22 H20 Cl N3 O2 S2 |
| Smiles: | CCCCNC(CN1C2=C(c3ccc(cc3)[Cl])SC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8441 |
| logD: | 4.8441 |
| logSw: | -4.8535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.373 |
| InChI Key: | QIGUKKXHBRVUSJ-UHFFFAOYSA-N |