6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-methyl-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-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D358-0246 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CC1=CSC2=NC=C(C(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0977 |
| logD: | 0.8553 |
| logSw: | -2.3865 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.411 |
| InChI Key: | IKFHCDGSLIYAOQ-UHFFFAOYSA-N |