N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide
N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | C064-0263 |
| Compound Name: | N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 555.58 |
| Molecular Formula: | C28 H24 F3 N3 O4 S |
| Smiles: | C(Cn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCCO2)=O)NC(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8666 |
| logD: | 3.8665 |
| logSw: | -4.0844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.176 |
| InChI Key: | BNPQVUSGXCJYEF-UHFFFAOYSA-N |