2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
| Compound ID: | K786-2854 |
| Compound Name: | 2-({7-[(1,3-benzothiazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C19 H17 N5 O5 S2 |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.889 |
| logD: | 5.889 |
| logSw: | -5.3964 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.791 |
| InChI Key: | TUUHJBDCMQVPNF-UHFFFAOYSA-N |