N-(5-chloro-2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2495 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 421.96 |
| Molecular Formula: | C20 H20 Cl N O3 S2 |
| Smiles: | COc1cc(c(cc1NC(C1=Cc2c(CS1)c1CCCCc1s2)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.5948 |
| logD: | 5.5925 |
| logSw: | -5.8671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.752 |
| InChI Key: | LHMQJTIIOGOZBN-UHFFFAOYSA-N |