methyl 2-[(2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate
Chemical Structure Depiction of
methyl 2-[(2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate
methyl 2-[(2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate
Compound characteristics
| Compound ID: | 8019-8865 |
| Compound Name: | methyl 2-[(2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]benzoate |
| Molecular Weight: | 386.42 |
| Molecular Formula: | C19 H18 N2 O5 S |
| Smiles: | CN1C(=O)Oc2ccc(CNC(CSc3ccccc3C(=O)OC)=O)cc12 |
| Stereo: | ACHIRAL |
| logP: | 2.143 |
| logD: | 2.143 |
| logSw: | -2.9746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.478 |
| InChI Key: | BHLQZMKRPQAFJF-UHFFFAOYSA-N |