N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-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-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
Compound ID: | E213-0403 |
Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
Molecular Weight: | 431.94 |
Molecular Formula: | C21 H22 Cl N3 O3 S |
Smiles: | Cc1cc(c(cc1[Cl])OC)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3146 |
logD: | 3.7976 |
logSw: | -4.7451 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.646 |
InChI Key: | MTLKWFPUBDJNLL-UHFFFAOYSA-N |