4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl 3-methylbenzoate
Chemical Structure Depiction of
4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl 3-methylbenzoate
4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 3229-2721 |
| Compound Name: | 4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl 3-methylbenzoate |
| Molecular Weight: | 338.38 |
| Molecular Formula: | C18 H14 N2 O3 S |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(\C=C2/C(NC(N2)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0763 |
| logD: | 3.0555 |
| logSw: | -3.4473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.672 |
| InChI Key: | JYOPSSTWRQPDAT-UHFFFAOYSA-N |