ethyl 4-[4-(4-hydroxyphenyl)-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
ethyl 4-[4-(4-hydroxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
ethyl 4-[4-(4-hydroxyphenyl)-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: | 8018-6956 |
| Compound Name: | ethyl 4-[4-(4-hydroxyphenyl)-1-methyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1CC2=C(C(c3ccc(cc3)O)NC(N2C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3767 |
| logD: | 2.3443 |
| logSw: | -2.7106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.427 |
| InChI Key: | RXFHATVALCQDFV-IBGZPJMESA-N |