3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium--methyl sulfate (1/1)
Chemical Structure Depiction of
3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium--methyl sulfate (1/1)
3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium--methyl sulfate (1/1)
Compound characteristics
| Compound ID: | 1365-0111 |
| Compound Name: | 3-methyl-2-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium--methyl sulfate (1/1) |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C19 H17 N2 O2 |
| Salt: | CH3SO4- |
| Smiles: | CN1/C(=C/C=C/c2[n+](C)c3ccccc3o2)Oc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2929 |
| logD: | 4.2929 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 18.5946 |
| InChI Key: | XLKQLIAYDLMVLG-UHFFFAOYSA-N |