N-cyclopropyl-2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
Chemical Structure Depiction of
N-cyclopropyl-2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
N-cyclopropyl-2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide
Compound characteristics
| Compound ID: | V008-5644 |
| Compound Name: | N-cyclopropyl-2-[1-ethyl-4-(3-nitrophenyl)-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methylpentanamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C23 H29 N5 O5 |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NC3CC3)=O)C(C=2C(c2cccc(c2)[N+]([O-])=O)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6442 |
| logD: | 2.4244 |
| logSw: | -2.9339 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.675 |
| InChI Key: | KMWXKEFFCCHTSM-UHFFFAOYSA-N |