butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | 8019-8516 |
| Compound Name: | butyl 4-[4-(4-methoxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)N1CC2=C(C(c3ccc(cc3)OC)NC(N2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9636 |
| logD: | 3.9312 |
| logSw: | -4.0136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.648 |
| InChI Key: | QPGFFLCDCBISAB-QFIPXVFZSA-N |