N-[2-(4-chlorophenyl)ethyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-[2-(4-chlorophenyl)ethyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-0758 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | C1CCC2=C(CC1)SC1=NC=C(C(NCCc3ccc(cc3)[Cl])=O)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.906 |
| logD: | 2.904 |
| logSw: | -3.6506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.209 |
| InChI Key: | WEURKJKUOGTIAO-UHFFFAOYSA-N |