2-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
2-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
Compound ID: | E213-0866 |
Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbonyl}-3-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidin-4-one |
Molecular Weight: | 456.99 |
Molecular Formula: | C23 H25 Cl N4 O2 S |
Smiles: | Cc1c2C(N3CCCCC3=Nc2sc1C(N1CCCN(Cc2ccccc2[Cl])C1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5401 |
logD: | 3.5174 |
logSw: | -4.1207 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.22 |
InChI Key: | BPQIHLHSBGIIEK-UHFFFAOYSA-N |