5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one--trifluoroacetic acid (1/1)
5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | 5067-0952 |
| Compound Name: | 5-{[3-(dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one--trifluoroacetic acid (1/1) |
| Molecular Weight: | 495.52 |
| Molecular Formula: | C20 H23 N5 O S |
| Salt: | CF3COOH |
| Smiles: | Cc1c2C(N3C(c4ccccc4C(NCCCN(C)C)=N3)=Nc2sc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4014 |
| logD: | 0.4555 |
| logSw: | -2.9835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.866 |
| InChI Key: | WFIFNWRTUCZOSC-UHFFFAOYSA-N |