N-(2-methoxy-5-nitrophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide
N-(2-methoxy-5-nitrophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-0361 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-1-[4-(pyrimidin-2-yl)piperazin-1-yl]isoquinoline-4-carboxamide |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C25 H23 N7 O4 |
| Smiles: | COc1ccc(cc1NC(c1cnc(c2ccccc12)N1CCN(CC1)c1ncccn1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3187 |
| logD: | 4.2997 |
| logSw: | -4.1661 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.518 |
| InChI Key: | SUOIGFOHXOXMNU-UHFFFAOYSA-N |