3-(3-chlorophenyl)-1-cyclopropyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-cyclopropyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-cyclopropyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-0197 |
| Compound Name: | 3-(3-chlorophenyl)-1-cyclopropyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 342.78 |
| Molecular Formula: | C17 H15 Cl N4 O2 |
| Smiles: | C=CCn1cnc2c1C(N(C1CC1)C(N2c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4795 |
| logD: | 2.4795 |
| logSw: | -2.982 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.077 |
| InChI Key: | FQVHDYXRABUKPI-UHFFFAOYSA-N |