3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylic acid
Chemical Structure Depiction of
3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylic acid
3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylic acid
Compound characteristics
| Compound ID: | FF01-0295 |
| Compound Name: | 3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylic acid |
| Molecular Weight: | 292.35 |
| Molecular Formula: | C14 H16 N2 O3 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(C(O)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8829 |
| logD: | -2.0695 |
| logSw: | -1.823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.03 |
| InChI Key: | DDELXPVQAUVKJF-SSDOTTSWSA-N |