7-[3-(4-chloroanilino)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[3-(4-chloroanilino)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[3-(4-chloroanilino)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 6212-0075 |
| Compound Name: | 7-[3-(4-chloroanilino)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 363.8 |
| Molecular Formula: | C16 H18 Cl N5 O3 |
| Smiles: | CN1C(c2c(ncn2CC(CNc2ccc(cc2)[Cl])O)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5095 |
| logD: | 1.5095 |
| logSw: | -2.3329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.086 |
| InChI Key: | OMSTXVDQUZQMQK-LBPRGKRZSA-N |