7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D114-0053 |
| Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-8-[(2-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C18 H22 Cl N5 O4 |
| Smiles: | CC(CNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cc(ccc1[Cl])OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4745 |
| logD: | 2.4745 |
| logSw: | -3.1544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.14 |
| InChI Key: | YJXCHOQPWWIXEP-JTQLQIEISA-N |