3-(4-benzylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one
Chemical Structure Depiction of
3-(4-benzylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one
3-(4-benzylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | G595-0701 |
| Compound Name: | 3-(4-benzylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidin-4-one |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | C1CCC2=C(CC1)SC1=NC=C(C(N3CCN(CC3)Cc3ccccc3)=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3351 |
| logD: | 2.3144 |
| logSw: | -2.5024 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.143 |
| InChI Key: | XIXSFQDRLTYQHR-UHFFFAOYSA-N |