N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | C791-0546 |
| Compound Name: | N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[2-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C21 H21 F3 N4 O2 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(Nc1ccccc1C(F)(F)F)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.577 |
| logD: | 4.5747 |
| logSw: | -4.4358 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.003 |
| InChI Key: | DLNGOISIGNMGBM-LLVKDONJSA-N |