methyl 2-{[(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoate
methyl 2-{[(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8005-2168 |
| Compound Name: | methyl 2-{[(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)methyl]amino}benzoate |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C16 H14 N2 O3 S |
| Smiles: | COC(c1ccccc1NCN1C(Oc2ccccc12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7407 |
| logD: | 3.7407 |
| logSw: | -4.1569 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.511 |
| InChI Key: | PJZGNZGBAYFLMF-UHFFFAOYSA-N |