7-benzyl-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-5121 |
| Compound Name: | 7-benzyl-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 392.84 |
| Molecular Formula: | C21 H17 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | C=CCN1C(c2c(ncn2Cc2ccccc2)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4743 |
| logD: | 3.4743 |
| logSw: | -3.4816 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | AQXJMYSKEWGHEY-UHFFFAOYSA-N |