3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0402 |
| Compound Name: | 3-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5036 |
| logD: | 4.5024 |
| logSw: | -4.2842 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.713 |
| InChI Key: | BJTRMXDYMLWRNN-UHFFFAOYSA-N |