2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-4995 |
| Compound Name: | 2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 518.57 |
| Molecular Formula: | C24 H18 N6 O4 S2 |
| Smiles: | C(CSc1nnc(NC(C(=C/c2cccn2c2cccc(c2)[N+]([O-])=O)\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.56 |
| logD: | 4.96 |
| logSw: | -6.53 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 263.7 |
| InChI Key: | NTTCPVSSTKBUCZ-UHFFFAOYSA-N |