N-(3-chlorophenyl)-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(3-chlorophenyl)-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
Compound ID: | E213-0431 |
Compound Name: | N-(3-chlorophenyl)-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
Molecular Weight: | 401.91 |
Molecular Formula: | C20 H20 Cl N3 O2 S |
Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(C)c1cccc(c1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 3.777 |
logD: | 3.777 |
logSw: | -4.4862 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.991 |
InChI Key: | BADDSQCPAKJVGU-UHFFFAOYSA-N |