N-ethyl-N-(4-fluorophenyl)-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-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-ethyl-N-(4-fluorophenyl)-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: | E213-0444 |
Compound Name: | N-ethyl-N-(4-fluorophenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
Molecular Weight: | 399.49 |
Molecular Formula: | C21 H22 F N3 O2 S |
Smiles: | CCN(C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)c1ccc(cc1)F |
Stereo: | ACHIRAL |
logP: | 3.7404 |
logD: | 3.7404 |
logSw: | -4.0662 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.969 |
InChI Key: | JOZFSNIEVXLKSE-UHFFFAOYSA-N |