N-(5-chloro-2,4-dimethoxyphenyl)-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-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-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: | E213-0339 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C21 H22 Cl N3 O4 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(Nc1cc(c(cc1OC)OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6624 |
| logD: | 2.669 |
| logSw: | -4.3918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.276 |
| InChI Key: | CCVMBKPGZDPWCV-UHFFFAOYSA-N |