3-methyl-N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)-N-(4-methylpyridin-2-yl)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carb oxamide
Chemical Structure Depiction of
3-methyl-N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)-N-(4-methylpyridin-2-yl)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carb oxamide
3-methyl-N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)-N-(4-methylpyridin-2-yl)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carb oxamide
Compound characteristics
| Compound ID: | C660-0349 |
| Compound Name: | 3-methyl-N-(3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carbonyl)-N-(4-methylpyridin-2-yl)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carb oxamide |
| Molecular Weight: | 628.77 |
| Molecular Formula: | C32 H32 N6 O4 S2 |
| Smiles: | Cc1ccnc(c1)N(C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O)C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.032 |
| logD: | 4.032 |
| logSw: | -4.092 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 89.584 |
| InChI Key: | RMVTYOKTDZWIGO-UHFFFAOYSA-N |