2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0118 |
| Compound Name: | 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 402.42 |
| Molecular Formula: | C19 H18 N2 O6 S |
| Smiles: | COc1ccc(cc1OC(c1cccc(c1)[N+]([O-])=O)=O)C(N1CCOCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3034 |
| logD: | 3.3034 |
| logSw: | -3.7417 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.572 |
| InChI Key: | GUDNUZPBQABJLL-UHFFFAOYSA-N |