N-(2-chloro-4-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-(2-chloro-4-methylphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(2-chloro-4-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: | E213-0480 |
| Compound Name: | N-(2-chloro-4-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: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0874 |
| logD: | 4.0077 |
| logSw: | -4.5862 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.015 |
| InChI Key: | DPYDRPCIEIYFBX-UHFFFAOYSA-N |