N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-methoxybenzamide
Chemical Structure Depiction of
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-methoxybenzamide
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | C064-0091 |
| Compound Name: | N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-methoxybenzamide |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C27 H25 N3 O5 S |
| Smiles: | COc1ccccc1C(NCCn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0465 |
| logD: | 4.0464 |
| logSw: | -3.9513 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.099 |
| InChI Key: | QPGAKRCBIQWISZ-UHFFFAOYSA-N |