methyl 4-{[3-(4-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 4-{[3-(4-methylphenyl)-2,6-dioxo-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[3-(4-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: | V025-9233 |
| Compound Name: | methyl 4-{[3-(4-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: | Cc1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3489 |
| logD: | 3.3489 |
| logSw: | -3.3101 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.698 |
| InChI Key: | KDYMKOYSTZLXFA-UHFFFAOYSA-N |