N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide
Compound characteristics
| Compound ID: | E848-2199 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-[5-(pyrrolidine-1-sulfonyl)-1H-indol-1-yl]butanamide |
| Molecular Weight: | 485.67 |
| Molecular Formula: | C25 H31 N3 O3 S2 |
| Smiles: | CSc1ccc(CCNC(CCCn2ccc3cc(ccc23)S(N2CCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2694 |
| logD: | 3.2694 |
| logSw: | -3.5715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.446 |
| InChI Key: | DQLBPNNSMQDGKY-UHFFFAOYSA-N |