4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8451-00947 |
| Compound Name: | 4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl 3-chloro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C25 H13 Cl O4 S |
| Smiles: | C(=C1C(c2ccccc2C1=O)=O)c1ccc(cc1)OC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2292 |
| logD: | 6.2292 |
| logSw: | -6.4502 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.671 |
| InChI Key: | QPHDPYNZEDTMOP-UHFFFAOYSA-N |