N-(2,5-diethoxyphenyl)-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
Chemical Structure Depiction of
N-(2,5-diethoxyphenyl)-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
N-(2,5-diethoxyphenyl)-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
Compound characteristics
| Compound ID: | C791-0624 |
| Compound Name: | N-(2,5-diethoxyphenyl)-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Smiles: | CCOc1ccc(c(c1)NC(Nc1c(C)c2C(N3CCC(C)CCC3=Nc2s1)=O)=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5537 |
| logD: | 4.5537 |
| logSw: | -4.4594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.337 |
| InChI Key: | XFVLVTORYLBYKX-CQSZACIVSA-N |