7-{3-[(azepan-2-ylidene)amino]propyl}-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-{3-[(azepan-2-ylidene)amino]propyl}-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
7-{3-[(azepan-2-ylidene)amino]propyl}-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-3939 |
| Compound Name: | 7-{3-[(azepan-2-ylidene)amino]propyl}-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 453.97 |
| Molecular Formula: | C20 H31 N7 O3 |
| Salt: | HCl |
| Smiles: | CN1C(c2c(nc(N3CCOCC3)n2CCC/N=C2\CCCCCN2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5669 |
| logD: | 0.7535 |
| logSw: | -1.5068 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.56 |
| InChI Key: | GKOUOKFPGRUDDS-UHFFFAOYSA-N |