2-methyl-N-[3-(morpholine-4-carbothioyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1-carbothioamide
Chemical Structure Depiction of
2-methyl-N-[3-(morpholine-4-carbothioyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1-carbothioamide
2-methyl-N-[3-(morpholine-4-carbothioyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1-carbothioamide
Compound characteristics
| Compound ID: | 8010-9746 |
| Compound Name: | 2-methyl-N-[3-(morpholine-4-carbothioyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzene-1-carbothioamide |
| Molecular Weight: | 416.63 |
| Molecular Formula: | C21 H24 N2 O S3 |
| Smiles: | Cc1ccccc1C(Nc1c(C(N2CCOCC2)=S)c2CCCCc2s1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2595 |
| logD: | 3.7191 |
| logSw: | -5.1797 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.292 |
| InChI Key: | XHRXBORNMLMLAM-UHFFFAOYSA-N |