4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y070-0389 |
| Compound Name: | 4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C22 H15 Cl N2 O5 S |
| Smiles: | CN1C(C(=Cc2ccc(cc2)OC(c2c(c3ccccc3s2)[Cl])=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5401 |
| logD: | 4.5401 |
| logSw: | -4.9742 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.25 |
| InChI Key: | ZGGUPDKLVSBNEI-UHFFFAOYSA-N |