N-butyl-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-butyl-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-butyl-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | 8009-4776 |
Compound Name: | N-butyl-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide |
Molecular Weight: | 540.68 |
Molecular Formula: | C24 H24 N6 O3 S3 |
Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nccn1C)=O |
Stereo: | ACHIRAL |
logP: | 5.2822 |
logD: | 5.2789 |
logSw: | -5.0927 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.488 |
InChI Key: | DQWDNKVCMXRWSM-UHFFFAOYSA-N |