3-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
| Compound ID: | K786-2877 |
| Compound Name: | 3-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C18 H15 N5 O5 S2 |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1078 |
| logD: | 5.1078 |
| logSw: | -4.9495 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.488 |
| InChI Key: | JVJXCUAWYNIAOL-UHFFFAOYSA-N |