methyl 4-[({[amino(1,5-dimethyl-1H-pyrrol-2-yl)methylidene]amino}oxy)carbonyl]benzoate
Chemical Structure Depiction of
methyl 4-[({[amino(1,5-dimethyl-1H-pyrrol-2-yl)methylidene]amino}oxy)carbonyl]benzoate
methyl 4-[({[amino(1,5-dimethyl-1H-pyrrol-2-yl)methylidene]amino}oxy)carbonyl]benzoate
Compound characteristics
| Compound ID: | 8015-2160 |
| Compound Name: | methyl 4-[({[amino(1,5-dimethyl-1H-pyrrol-2-yl)methylidene]amino}oxy)carbonyl]benzoate |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C16 H17 N3 O4 |
| Smiles: | Cc1ccc(/C(N)=N/OC(c2ccc(cc2)C(=O)OC)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 2.0436 |
| logD: | 2.0436 |
| logSw: | -2.1832 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.54 |
| InChI Key: | VLEPCYANVNUTHQ-UHFFFAOYSA-N |