methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V021-8275 |
| Compound Name: | methyl 4-{[1-(cyclopropylmethyl)-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C24 H22 N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(CC2CC2)C(N3c2ccccc2)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1732 |
| logD: | 3.1732 |
| logSw: | -3.1689 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.972 |
| InChI Key: | JJCCOGPOENUSHG-UHFFFAOYSA-N |