7-[(2-chlorophenyl)methyl]-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2731 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-{[2-(1H-indol-3-yl)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C24 H23 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc(NCCc3c[nH]c4ccccc34)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7082 |
| logD: | 4.7081 |
| logSw: | -4.6552 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.559 |
| InChI Key: | YIHHPOFGPDTBQI-UHFFFAOYSA-N |