3-methyl-7-{3-[(1-methylazepan-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-methyl-7-{3-[(1-methylazepan-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
3-methyl-7-{3-[(1-methylazepan-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8012-8111 |
| Compound Name: | 3-methyl-7-{3-[(1-methylazepan-2-ylidene)amino]propyl}-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 368.86 |
| Molecular Formula: | C16 H24 N6 O2 |
| Salt: | HCl |
| Smiles: | CN1CCCCC\C1=N/CCCn1cnc2c1C(NC(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2973 |
| logD: | -0.6901 |
| logSw: | -1.7533 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.52 |
| InChI Key: | NPCMMSMQJZJHKQ-SFQUDFHCSA-N |