1-cyclopropyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclopropyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-cyclopropyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-5229 |
| Compound Name: | 1-cyclopropyl-3-(3-methoxyphenyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)N1C(N(C2CC2)C(c2c1ncn2Cc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8434 |
| logD: | 2.8434 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.752 |
| InChI Key: | TXGKWJSPKVHXGM-UHFFFAOYSA-N |