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-ethylphenyl)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-ethylphenyl)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-ethylphenyl)urea
Compound characteristics
| Compound ID: | C791-0556 |
| 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-ethylphenyl)urea |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | CCc1ccccc1NC(Nc1c(C)c2C(N3CCC(C)CCC3=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5609 |
| logD: | 4.5586 |
| logSw: | -4.3315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.003 |
| InChI Key: | XXKQXIGZQLSFOJ-CYBMUJFWSA-N |