2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | K784-6195 |
| Compound Name: | 2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C15 H11 N5 O4 S2 |
| Smiles: | C(CO)Nc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.192 |
| logD: | 4.192 |
| logSw: | -4.5014 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.994 |
| InChI Key: | PPYQSLDCNMIKJX-UHFFFAOYSA-N |