2-({7-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Chemical Structure Depiction of
2-({7-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
2-({7-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate
Compound characteristics
| Compound ID: | K786-1539 |
| Compound Name: | 2-({7-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl acetate |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C13 H13 N5 O5 S2 |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SC1=NCCS1 |
| Stereo: | ACHIRAL |
| logP: | 3.1789 |
| logD: | 3.1762 |
| logSw: | -3.4955 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.12 |
| InChI Key: | SLTIWZSMQYQRCA-UHFFFAOYSA-N |