N-(4-bromophenyl)-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-(4-bromophenyl)-N,3-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(4-bromophenyl)-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: | E213-0437 |
| Compound Name: | N-(4-bromophenyl)-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: | 446.36 |
| Molecular Formula: | C20 H20 Br N3 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(C)c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7584 |
| logD: | 3.7584 |
| logSw: | -4.0783 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.991 |
| InChI Key: | ZIKZEGZYWXIBHC-UHFFFAOYSA-N |