methyl 4-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate
methyl 4-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | K953-0393 |
| Compound Name: | methyl 4-[3-(2-sulfanylidene-1,3-benzoxazol-3(2H)-yl)propanamido]benzoate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CCN1C(Oc2ccccc12)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3923 |
| logD: | 3.3917 |
| logSw: | -3.9333 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.176 |
| InChI Key: | BICJAPZEDCNTPV-UHFFFAOYSA-N |