methyl 2-(2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 5400-0826 |
| Compound Name: | methyl 2-(2-{[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C20 H14 Cl N3 O4 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1nnc(c2c(c3ccccc3s2)[Cl])o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3427 |
| logD: | 4.3289 |
| logSw: | -4.6637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.436 |
| InChI Key: | VBFWCMBNBVDQLD-UHFFFAOYSA-N |