methyl 4-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 4-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V023-0323 |
| Compound Name: | methyl 4-{[1-ethyl-3-(3-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(cc2)C(=O)OC)N(C1=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2689 |
| logD: | 3.2689 |
| logSw: | -3.087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.445 |
| InChI Key: | RKPSKXBDCKPSBH-UHFFFAOYSA-N |