N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2698 |
| Compound Name: | N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 453.67 |
| Molecular Formula: | C25 H31 N3 O S2 |
| Smiles: | CCN1CCN(CC1)Cc1ccc(cc1)NC(C1=Cc2c(CS1)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6977 |
| logD: | 3.766 |
| logSw: | -4.1828 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4585 |
| InChI Key: | MDWHBMFUBRDHJK-UHFFFAOYSA-N |