3-(4-butylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4-butylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4-butylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-3825 |
| Compound Name: | 3-(4-butylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | CCCCc1ccc(cc1)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4239 |
| logD: | 4.4153 |
| logSw: | -4.3764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.226 |
| InChI Key: | WNYCLTJLYPHOIU-UHFFFAOYSA-N |