6,7-dimethyl-2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
6,7-dimethyl-2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
6,7-dimethyl-2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
Compound ID: | 2039-0592 |
Compound Name: | 6,7-dimethyl-2-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
Molecular Weight: | 449.53 |
Molecular Formula: | C23 H23 N5 O3 S |
Smiles: | Cc1cc2c(cc1C)n1C(/C(=C\c3ccc(c(c3)[N+]([O-])=O)N3CCN(C)CC3)Sc1n2)=O |
Stereo: | ACHIRAL |
logP: | 4.2604 |
logD: | 3.8006 |
logSw: | -4.4484 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 64.161 |
InChI Key: | JNESNEJXRQSNRU-UHFFFAOYSA-N |