N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | C064-0136 |
| Compound Name: | N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C25 H22 F N3 O2 S |
| Smiles: | C(Cn1cc(c2ccccc12)SCC(Nc1ccccc1)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9279 |
| logD: | 3.9279 |
| logSw: | -4.0519 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.353 |
| InChI Key: | NIMOQOJPBKRBCY-UHFFFAOYSA-N |