N-methyl-N-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamide
Chemical Structure Depiction of
N-methyl-N-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamide
N-methyl-N-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamide
Compound characteristics
| Compound ID: | 3237-0168 |
| Compound Name: | N-methyl-N-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]propanamide |
| Molecular Weight: | 247.31 |
| Molecular Formula: | C13 H13 N O2 S |
| Smiles: | CCC(N(C)/C=C1/C(c2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6957 |
| logD: | 1.6957 |
| logSw: | -2.6195 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.1763 |
| InChI Key: | GRUBXNOZRDXRIR-UHFFFAOYSA-N |