N-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxyphenyl)-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(5-chloro-2-methoxyphenyl)-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: | E213-0436 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-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: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(C)c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5145 |
| logD: | 3.5145 |
| logSw: | -4.4766 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.321 |
| InChI Key: | YPHANFNKMPSHQO-UHFFFAOYSA-N |