ethyl 3-[(2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
Chemical Structure Depiction of
ethyl 3-[(2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
ethyl 3-[(2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate
Compound characteristics
| Compound ID: | 8017-5690 |
| Compound Name: | ethyl 3-[(2-{[7-(2H-benzotriazol-2-yl)-5-methyl-1,3-benzoxazol-2-yl]sulfanyl}acetamido)methyl]-4-methylbenzoate |
| Molecular Weight: | 515.59 |
| Molecular Formula: | C27 H25 N5 O4 S |
| Smiles: | CCOC(c1ccc(C)c(CNC(CSc2nc3cc(C)cc(c3o2)n2nc3ccccc3n2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4032 |
| logD: | 6.4032 |
| logSw: | -5.6192 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.822 |
| InChI Key: | OUYJCTFCKLWZMO-UHFFFAOYSA-N |