ethyl 3-{[(4-chloro-3-nitrophenyl)methyl]amino}-4-methylpentanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-{[(4-chloro-3-nitrophenyl)methyl]amino}-4-methylpentanoate--hydrogen chloride (1/1)
ethyl 3-{[(4-chloro-3-nitrophenyl)methyl]amino}-4-methylpentanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K783-1070 |
| Compound Name: | ethyl 3-{[(4-chloro-3-nitrophenyl)methyl]amino}-4-methylpentanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 365.25 |
| Molecular Formula: | C15 H21 Cl N2 O4 |
| Salt: | HCl |
| Smiles: | CCOC(CC(C(C)C)NCc1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8511 |
| logD: | 2.5486 |
| logSw: | -3.5575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.936 |
| InChI Key: | XIYFLVJAUGRHML-ZDUSSCGKSA-N |