3-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
3-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
3-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3405-0140 |
| Compound Name: | 3-(morpholine-4-carbothioyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 417.4 |
| Molecular Formula: | C18 H15 N3 O7 S |
| Smiles: | C1COCCN1C(c1cccc(c1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9496 |
| logD: | 2.9496 |
| logSw: | -3.4776 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 97.236 |
| InChI Key: | MHPRNEDHNPDLCS-UHFFFAOYSA-N |