7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-6843 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C23 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)N1C(N(CC2CC2)C(c2c1ncn2Cc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0233 |
| logD: | 4.0233 |
| logSw: | -4.3883 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.341 |
| InChI Key: | XBTYMCYVVLHXFW-UHFFFAOYSA-N |