2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0720 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C19 H15 N5 O7 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.73 |
| logD: | 1.35 |
| logSw: | -4.71 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 291.89 |
| InChI Key: | BZQIHYXEDOHJTM-UHFFFAOYSA-N |