2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Chemical Structure Depiction of
2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 3405-0083 |
| Compound Name: | 2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 3-nitrobenzoate |
| Molecular Weight: | 530.19 |
| Molecular Formula: | C18 H14 Br2 N2 O5 S |
| Smiles: | C1COCCN1C(c1cc(c(c(c1)[Br])OC(c1cccc(c1)[N+]([O-])=O)=O)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.9347 |
| logD: | 4.9347 |
| logSw: | -4.9323 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 64.028 |
| InChI Key: | OHUSGGLSTLNXLK-UHFFFAOYSA-N |