2-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
2-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V029-7532 |
| Compound Name: | 2-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 397.44 |
| Molecular Formula: | C23 H19 N5 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1ccccc1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.088 |
| logD: | 3.088 |
| logSw: | -3.3106 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.581 |
| InChI Key: | NDNYMEHCSOHHJM-UHFFFAOYSA-N |