2-[{7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Chemical Structure Depiction of
2-[{7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
2-[{7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol
Compound characteristics
| Compound ID: | K784-6231 |
| Compound Name: | 2-[{7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}(methyl)amino]ethan-1-ol |
| Molecular Weight: | 403.44 |
| Molecular Formula: | C16 H13 N5 O4 S2 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3485 |
| logD: | 4.3485 |
| logSw: | -4.432 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.247 |
| InChI Key: | LQRYDNVTECZQPF-UHFFFAOYSA-N |