ethyl 4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamoyl]piperazine-1-carboxylate
ethyl 4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C791-0664 |
| Compound Name: | ethyl 4-[(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)carbamoyl]piperazine-1-carboxylate |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(Nc1c(C)c2C(N3CCC(C)CCC3=Nc2s1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6987 |
| logD: | 2.6984 |
| logSw: | -2.963 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.647 |
| InChI Key: | XBHQVTSPEFNYKC-CYBMUJFWSA-N |