ethyl {2-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]-1,3-thiazol-4-yl}acetate
Chemical Structure Depiction of
ethyl {2-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]-1,3-thiazol-4-yl}acetate
ethyl {2-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]-1,3-thiazol-4-yl}acetate
Compound characteristics
| Compound ID: | C791-0572 |
| Compound Name: | ethyl {2-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamamido]-1,3-thiazol-4-yl}acetate |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | CCOC(Cc1csc(NC(Nc2c(C)c3C(N4CCC(C)CCC4=Nc3s2)=O)=O)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8022 |
| logD: | 3.802 |
| logSw: | -4.0438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.401 |
| InChI Key: | QOSSRAWAHCSDOR-LLVKDONJSA-N |