3-{[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
3-{[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V029-5402 |
| Compound Name: | 3-{[3-(4-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 431.88 |
| Molecular Formula: | C23 H18 Cl N5 O2 |
| Salt: | not_available |
| Smiles: | C1CC1CN1C(c2c(ncn2Cc2cccc(C#N)c2)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3732 |
| logD: | 3.3732 |
| logSw: | -3.6655 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.854 |
| InChI Key: | BQPRIILFBOPWQP-UHFFFAOYSA-N |