2-chloro-N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-6-fluorobenzamide
Chemical Structure Depiction of
2-chloro-N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-6-fluorobenzamide
2-chloro-N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-6-fluorobenzamide
Compound characteristics
| Compound ID: | C328-0245 |
| Compound Name: | 2-chloro-N-({5-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-6-fluorobenzamide |
| Molecular Weight: | 508.95 |
| Molecular Formula: | C22 H22 Cl F N4 O5 S |
| Smiles: | COc1ccc(CCNC(CSc2nnc(CNC(c3c(cccc3[Cl])F)=O)o2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5752 |
| logD: | 1.5749 |
| logSw: | -3.0721 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.989 |
| InChI Key: | LQJXMSFLHDRYHP-UHFFFAOYSA-N |