2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 2144-0753 |
| Compound Name: | 2-{[2,4-bis(4-methylpiperidin-1-yl)-5-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C28 H31 N5 O3 S |
| Smiles: | CC1CCN(CC1)c1cc(c(cc1\C=C1/C(n2c3ccccc3nc2S1)=O)[N+]([O-])=O)N1CCC(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.3671 |
| logD: | 6.3671 |
| logSw: | -5.5465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.836 |
| InChI Key: | ULQUYWVWBYTTFP-UHFFFAOYSA-N |