methyl 3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoate
Chemical Structure Depiction of
methyl 3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoate
methyl 3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoate
Compound characteristics
| Compound ID: | K784-1057 |
| Compound Name: | methyl 3-nitro-4-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)benzoate |
| Molecular Weight: | 374.41 |
| Molecular Formula: | C18 H18 N2 O5 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0355 |
| logD: | 3.0355 |
| logSw: | -3.6133 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.534 |
| InChI Key: | AXVXEJUSTXGHNB-UHFFFAOYSA-N |