N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-chloro-6-fluorobenzamide
Chemical Structure Depiction of
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-chloro-6-fluorobenzamide
N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-chloro-6-fluorobenzamide
Compound characteristics
| Compound ID: | C328-0243 |
| Compound Name: | N-({5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-2-chloro-6-fluorobenzamide |
| Molecular Weight: | 478.88 |
| Molecular Formula: | C20 H16 Cl F N4 O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc(CNC(c2c(cccc2[Cl])F)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1965 |
| logD: | 2.1962 |
| logSw: | -3.4602 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.002 |
| InChI Key: | QYHCMUYKULVIPY-UHFFFAOYSA-N |