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'-(2,6-dimethylphenyl)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'-(2,6-dimethylphenyl)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'-(2,6-dimethylphenyl)urea
Compound characteristics
| Compound ID: | C791-0555 |
| 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'-(2,6-dimethylphenyl)urea |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(Nc1c(C)cccc1C)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2133 |
| logD: | 4.2055 |
| logSw: | -4.2765 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.305 |
| InChI Key: | KOHNEQCOHNWHTA-GFCCVEGCSA-N |