N-[3-(azepan-1-yl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-[3-(azepan-1-yl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2629 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 390.61 |
| Molecular Formula: | C21 H30 N2 O S2 |
| Smiles: | C1CCCN(CC1)CCCNC(C1=Cc2c(CS1)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5689 |
| logD: | 1.9983 |
| logSw: | -4.0964 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6664 |
| InChI Key: | CSVLABUEEIQRAY-UHFFFAOYSA-N |