7-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-5096 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-3-(3-methoxyphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)N1C(N(CC=C)C(c2c1ncn2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6541 |
| logD: | 3.6541 |
| logSw: | -3.8497 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.068 |
| InChI Key: | MLEGMNFTYIGDIJ-UHFFFAOYSA-N |