2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-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-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-5837 |
| Compound Name: | 2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 651.8 |
| Molecular Formula: | C29 H25 N5 O5 S4 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)Sc1ccc(/C=N/c2ccc3c(c2)sc(n3)SCC(N2CCOCC2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9858 |
| logD: | 6.9858 |
| logSw: | -5.5977 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 90.491 |
| InChI Key: | AGMKPBOXBCUEMN-UHFFFAOYSA-N |