2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 2038-0204 |
| Compound Name: | 2-{[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CC1CCN(CC1)c1ccc(/C=C2/C(n3c4ccccc4nc3S2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.674 |
| logD: | 4.674 |
| logSw: | -4.5364 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.685 |
| InChI Key: | WWBFGNVMNZHKBQ-UHFFFAOYSA-N |