N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0127 |
| Compound Name: | N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 546.6 |
| Molecular Formula: | C25 H30 N4 O8 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc(CNC(c3cc(c(c(c3)OC)OC)OC)=O)o2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.8993 |
| logD: | 0.8993 |
| logSw: | -2.3484 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.966 |
| InChI Key: | PTKIVAGIVDIZPN-UHFFFAOYSA-N |