N-(3,4-dimethylphenyl)-N-ethyl-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-(3,4-dimethylphenyl)-N-ethyl-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-(3,4-dimethylphenyl)-N-ethyl-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: | E213-0446 |
| Compound Name: | N-(3,4-dimethylphenyl)-N-ethyl-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CCN(C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8188 |
| logD: | 4.8188 |
| logSw: | -4.5713 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.969 |
| InChI Key: | RFQCQBFUWWHJLC-UHFFFAOYSA-N |