methyl 2-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V024-0477 |
| Compound Name: | methyl 2-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 448.45 |
| Molecular Formula: | C24 H21 F N4 O4 |
| Smiles: | COC(c1ccccc1Cn1cnc2c1C(N(CC1CC1)C(N2c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2901 |
| logD: | 3.2901 |
| logSw: | -3.5578 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.972 |
| InChI Key: | NQNSWGSYOVKXNK-UHFFFAOYSA-N |