methyl 4-[(1-cyclopentyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[(1-cyclopentyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
methyl 4-[(1-cyclopentyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate
Compound characteristics
| Compound ID: | V016-6727 |
| Compound Name: | methyl 4-[(1-cyclopentyl-2,6-dioxo-3-phenyl-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C25 H24 N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccc(Cn2cnc3c2C(N(C2CCCC2)C(N3c2ccccc2)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3659 |
| logD: | 3.3659 |
| logSw: | -3.5309 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.036 |
| InChI Key: | IENXCUJEAVCTHV-UHFFFAOYSA-N |