N-{3-[butyl(ethyl)amino]propyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
N-{3-[butyl(ethyl)amino]propyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide
Compound characteristics
| Compound ID: | C918-0143 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-7-chloro-5,5-dioxo-4,5-dihydro-5lambda~6~-thieno[3,2-c][1]benzothiopyran-2-carboxamide |
| Molecular Weight: | 455.04 |
| Molecular Formula: | C21 H27 Cl N2 O3 S2 |
| Smiles: | CCCCN(CC)CCCNC(c1cc2CS(c3cc(ccc3c2s1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2848 |
| logD: | 1.5922 |
| logSw: | -4.3374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.623 |
| InChI Key: | YYHBVBRLAMOQGR-UHFFFAOYSA-N |