2,6-difluoro-N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
2,6-difluoro-N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
2,6-difluoro-N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | K401-2806 |
| Compound Name: | 2,6-difluoro-N-{5-[(2-{[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 535.53 |
| Molecular Formula: | C19 H11 F2 N7 O4 S3 |
| Smiles: | C(C(Nc1nnc(c2cccc(c2)[N+]([O-])=O)s1)=O)Sc1nnc(NC(c2c(cccc2F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8188 |
| logD: | 3.8506 |
| logSw: | -4.9695 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.768 |
| InChI Key: | URNNKOCCKIPSQL-UHFFFAOYSA-N |