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'-(4-ethoxyphenyl)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'-(4-ethoxyphenyl)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'-(4-ethoxyphenyl)urea
Compound characteristics
| Compound ID: | C791-0559 |
| 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'-(4-ethoxyphenyl)urea |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(Nc1c(C)c2C(N3CCC(C)CCC3=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4294 |
| logD: | 4.4287 |
| logSw: | -4.2765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.825 |
| InChI Key: | XCKKZKYVEWSSDD-CYBMUJFWSA-N |