2-[4-(3-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]-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-[4-(3-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]-N-(4-phenoxyphenyl)acetamide
2-[4-(3-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]-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | V007-1074 |
| Compound Name: | 2-[4-(3-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]-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 528.99 |
| Molecular Formula: | C29 H25 Cl N4 O4 |
| Smiles: | C=CCN1C2CN(CC(Nc3ccc(cc3)Oc3ccccc3)=O)C(C=2C(c2cccc(c2)[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0346 |
| logD: | 5.0155 |
| logSw: | -5.2476 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.612 |
| InChI Key: | SBDNBLDNINBHPF-HHHXNRCGSA-N |