N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide
N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | C064-0131 |
| Compound Name: | N-[2-(3-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C25 H28 F N3 O2 S |
| Smiles: | C1CCCN(CC1)C(CSc1cn(CCNC(c2ccc(cc2)F)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8784 |
| logD: | 3.8784 |
| logSw: | -3.9022 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.927 |
| InChI Key: | VRROEDVMVNRICL-UHFFFAOYSA-N |