methyl 3-{[3-(2-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 3-{[3-(2-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 3-{[3-(2-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V025-0632 |
| Compound Name: | methyl 3-{[3-(2-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-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: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2478 |
| logD: | 3.2478 |
| logSw: | -3.424 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.397 |
| InChI Key: | CURKEGCYNJBHJG-UHFFFAOYSA-N |