N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide
Chemical Structure Depiction of
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | C064-0376 |
| Compound Name: | N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide |
| Molecular Weight: | 509.53 |
| Molecular Formula: | C26 H21 F2 N3 O4 S |
| Smiles: | C(Cn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)NC(c1c(cccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0912 |
| logD: | 4.0911 |
| logSw: | -4.3222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.469 |
| InChI Key: | FDHKVTWNOGNGAH-UHFFFAOYSA-N |