2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate
2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate
Compound characteristics
Compound ID: | 3405-0080 |
Compound Name: | 2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate |
Molecular Weight: | 530.19 |
Molecular Formula: | C18 H14 Br2 N2 O5 S |
Smiles: | C1COCCN1C(c1cc(c(c(c1)[Br])OC(c1ccc(cc1)[N+]([O-])=O)=O)[Br])=S |
Stereo: | ACHIRAL |
logP: | 5.0347 |
logD: | 5.0347 |
logSw: | -5.0761 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 64.028 |
InChI Key: | YFDDYAOBHTWWPV-UHFFFAOYSA-N |