4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y070-0380 |
| Compound Name: | 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3,4-dichloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 461.28 |
| Molecular Formula: | C20 H10 Cl2 N2 O5 S |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1ccc(cc1)OC(c1c(c2c(cccc2s1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3472 |
| logD: | 4 |
| logSw: | -4.7688 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.768 |
| InChI Key: | YCFGHWUBUKRFJS-UHFFFAOYSA-N |