methyl 4-{[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
methyl 4-{[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | D451-1122 |
| Compound Name: | methyl 4-{[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]carbamamido}benzoate |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C23 H19 N3 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(Nc1ccc2c(c1)sc(n2)SCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2054 |
| logD: | 6.2054 |
| logSw: | -5.5133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.525 |
| InChI Key: | XRCQEAUACNJQLK-UHFFFAOYSA-N |