methyl 4-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
methyl 4-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate
Compound characteristics
| Compound ID: | V014-8361 |
| Compound Name: | methyl 4-({2,6-dioxo-1-(2-phenoxyethyl)-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}methyl)benzoate |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C31 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CCOc2ccccc2)C(c2c1ncn2Cc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4602 |
| logD: | 5.4602 |
| logSw: | -5.5436 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.844 |
| InChI Key: | TVHOFXAUKBAIST-UHFFFAOYSA-N |