3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-morpholino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-morpholino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-morpholino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0540 |
| Compound Name: | 3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[5-(2-morpholino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 530.02 |
| Molecular Formula: | C23 H20 Cl N5 O4 S2 |
| Smiles: | C(C(N1CCOCC1)=O)c1nnc(NC(C(=C/c2ccc(o2)SCc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7 |
| logD: | 2.24 |
| logSw: | -4.81 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.8 |
| InChI Key: | NQXGYLWHVGMFRM-UHFFFAOYSA-N |