N-tert-butyl-2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-tert-butyl-2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
N-tert-butyl-2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | V019-4955 |
| Compound Name: | N-tert-butyl-2-[4-(2-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 416.91 |
| Molecular Formula: | C21 H25 Cl N4 O3 |
| Smiles: | CC(C)(C)NC(CN1CC2=C(C(c3ccccc3[Cl])NC(N2CC=C)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7292 |
| logD: | 2.7102 |
| logSw: | -3.4107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.282 |
| InChI Key: | WWTOSTVCHQGLAE-GOSISDBHSA-N |