3-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V025-9168 |
| Compound Name: | 3-{[1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Salt: | not_available |
| Smiles: | COCCN1C(c2c(ncn2Cc2cccc(C#N)c2)N(C1=O)c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9651 |
| logD: | 1.9651 |
| logSw: | -2.2472 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.467 |
| InChI Key: | DFTULIWCVIXKJI-UHFFFAOYSA-N |