8-{[3-(4-chloro-2-nitroanilino)propyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[3-(4-chloro-2-nitroanilino)propyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[3-(4-chloro-2-nitroanilino)propyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-4811 |
| Compound Name: | 8-{[3-(4-chloro-2-nitroanilino)propyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C17 H20 Cl N7 O4 |
| Smiles: | CN1C(c2c(nc(NCCCNc3ccc(cc3[N+]([O-])=O)[Cl])n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6663 |
| logD: | 2.6626 |
| logSw: | -3.6306 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.5 |
| InChI Key: | VUGVRRIEUJKILO-UHFFFAOYSA-N |