2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-8672 |
| Compound Name: | 2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 572.7 |
| Molecular Formula: | C23 H20 N6 O4 S4 |
| Smiles: | Cc1nnc(Sc2ccc(/C=N/c3ccc4c(c3)sc(n4)SCC(N3CCOCC3)=O)cc2[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4688 |
| logD: | 4.4688 |
| logSw: | -4.438 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.957 |
| InChI Key: | KRWHHMSSIIDVMM-UHFFFAOYSA-N |