methyl 3-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 3-{[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V016-6957 |
| Compound Name: | methyl 3-{[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 |
| Salt: | not_available |
| Smiles: | COC(c1cccc(Cn2cnc3c2C(N(CC2CC2)C(N3c2ccc(cc2)F)=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.218 |
| logD: | 3.218 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.972 |
| InChI Key: | ZNIDDASZWXLGAG-UHFFFAOYSA-N |