8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K233-0791 |
| Compound Name: | 8-[4-(4-acetylphenyl)piperazine-1-carbonyl]-N-cyclopentyl-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 575.71 |
| Molecular Formula: | C29 H29 N5 O4 S2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1ccc2C(NC3=C(C(NC4CCCC4)=O)SC(N3c2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.906 |
| logD: | 2.906 |
| logSw: | -3.5592 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.216 |
| InChI Key: | CMMPWXAGGUSXFB-UHFFFAOYSA-N |