6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D358-0941 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C1=CSC2=NC=C(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9566 |
| logD: | 2.7143 |
| logSw: | -3.101 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.549 |
| InChI Key: | NKJNYBDYCJPECA-UHFFFAOYSA-N |