3-{[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V021-5459 |
| Compound Name: | 3-{[1-cyclopropyl-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C23 H19 N5 O3 |
| Smiles: | COc1cccc(c1)N1C(N(C2CC2)C(c2c1ncn2Cc1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5558 |
| logD: | 2.5558 |
| logSw: | -2.6485 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.427 |
| InChI Key: | GTYAWBZTGGFNIY-UHFFFAOYSA-N |