N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | C064-0148 |
| Compound Name: | N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C26 H22 F N3 O4 S |
| Smiles: | C(Cn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9527 |
| logD: | 3.9527 |
| logSw: | -4.0786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.469 |
| InChI Key: | GIYSDEFVPYPPQO-UHFFFAOYSA-N |