N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-methoxybenzamide
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}-4-methoxybenzamide
N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | C064-0035 |
| Compound Name: | N-{2-[3-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-methoxybenzamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | COc1ccc(cc1)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0455 |
| logD: | 3.0454 |
| logSw: | -3.4478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.72 |
| InChI Key: | LHYBNVZXOKGQBX-UHFFFAOYSA-N |