4-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile
Chemical Structure Depiction of
4-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile
4-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile
Compound characteristics
| Compound ID: | V029-3014 |
| Compound Name: | 4-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetyl}benzonitrile |
| Molecular Weight: | 443.44 |
| Molecular Formula: | C24 H18 F N5 O3 |
| Salt: | not_available |
| Smiles: | C1CC1CN1C(c2c(ncn2CC(c2ccc(C#N)cc2)=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3871 |
| logD: | 2.3871 |
| logSw: | -2.6018 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.101 |
| InChI Key: | QWVBDZNDMSOEAM-UHFFFAOYSA-N |