ethyl 4-[(2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}hydrazinecarbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}hydrazinecarbothioyl)amino]benzoate
ethyl 4-[(2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}hydrazinecarbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | Y503-4002 |
| Compound Name: | ethyl 4-[(2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl}hydrazinecarbothioyl)amino]benzoate |
| Molecular Weight: | 498.51 |
| Molecular Formula: | C23 H22 N4 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NNC(c1ccc(COc2ccc(C)cc2[N+]([O-])=O)o1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4335 |
| logD: | 4.4023 |
| logSw: | -4.377 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.156 |
| InChI Key: | SAUVTZBOKUCUTK-UHFFFAOYSA-N |