2-(adamantan-1-yl)-4-chloro-5-(2-methoxy-5-nitroanilino)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(adamantan-1-yl)-4-chloro-5-(2-methoxy-5-nitroanilino)pyridazin-3(2H)-one
2-(adamantan-1-yl)-4-chloro-5-(2-methoxy-5-nitroanilino)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | C719-0022 |
| Compound Name: | 2-(adamantan-1-yl)-4-chloro-5-(2-methoxy-5-nitroanilino)pyridazin-3(2H)-one |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C21 H23 Cl N4 O4 |
| Smiles: | COc1ccc(cc1NC1C=NN(C(C=1[Cl])=O)C12CC3CC(CC(C3)C2)C1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6902 |
| logD: | 4.6827 |
| logSw: | -4.9942 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.81 |
| InChI Key: | DMXNUSUBYZZCTN-UHFFFAOYSA-N |