N~3~-cyclopentyl-N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Chemical Structure Depiction of
N~3~-cyclopentyl-N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~3~-cyclopentyl-N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
| Compound ID: | K233-0166 |
| Compound Name: | N~3~-cyclopentyl-N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C27 H28 N4 O5 S2 |
| Smiles: | COc1ccc(CCNC(c2ccc3C(NC4=C(C(NC5CCCC5)=O)SC(N4c3c2)=S)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7266 |
| logD: | 2.7266 |
| logSw: | -3.4693 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.996 |
| InChI Key: | XPOFYWYCORYVIC-UHFFFAOYSA-N |