methyl 3-nitro-4-{[2-oxo-2-(propylamino)ethyl]sulfanyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-4-{[2-oxo-2-(propylamino)ethyl]sulfanyl}benzoate
methyl 3-nitro-4-{[2-oxo-2-(propylamino)ethyl]sulfanyl}benzoate
Compound characteristics
| Compound ID: | K784-1064 |
| Compound Name: | methyl 3-nitro-4-{[2-oxo-2-(propylamino)ethyl]sulfanyl}benzoate |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C13 H16 N2 O5 S |
| Smiles: | CCCNC(CSc1ccc(cc1[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3278 |
| logD: | 2.3278 |
| logSw: | -2.7423 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.806 |
| InChI Key: | UPEKUCSNELESEF-UHFFFAOYSA-N |