N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepi ne-2-carboxamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepi ne-2-carboxamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepi ne-2-carboxamide
Compound characteristics
| Compound ID: | C660-0348 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-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)-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepi ne-2-carboxamide |
| Molecular Weight: | 649.81 |
| Molecular Formula: | C30 H31 N7 O4 S3 |
| Smiles: | CCc1nnc(N(C(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)C(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7308 |
| logD: | 3.7308 |
| logSw: | -3.8896 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 104.887 |
| InChI Key: | XLKJGFPPOJFFMS-UHFFFAOYSA-N |