3-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Chemical Structure Depiction of
3-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
3-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Compound characteristics
| Compound ID: | K786-2892 |
| Compound Name: | 3-({7-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C14 H14 N6 O5 S2 |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nnc(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0349 |
| logD: | 3.0349 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.077 |
| InChI Key: | UARWDWUCYYYQAQ-UHFFFAOYSA-N |