7-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
7-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-1280 |
| Compound Name: | 7-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C18 H25 N5 O3 |
| Salt: | HCl |
| Smiles: | CC1(C)CC(=CC(C1)=O)NCCCn1cnc2c1C(N(C)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6995 |
| logD: | 0.6993 |
| logSw: | -1.49 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.401 |
| InChI Key: | TUQWPAUYQLDZEZ-UHFFFAOYSA-N |