N-(3-acetylphenyl)-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-(3-acetylphenyl)-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-(3-acetylphenyl)-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: | C791-0570 |
| Compound Name: | N-(3-acetylphenyl)-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: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(Nc1cccc(c1)C(C)=O)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8013 |
| logD: | 3.8004 |
| logSw: | -4.0894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.528 |
| InChI Key: | UPSHBVYIJAARLC-GFCCVEGCSA-N |