3-(4-acetylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4-acetylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4-acetylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-4541 |
| Compound Name: | 3-(4-acetylanilino)-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 345.33 |
| Molecular Formula: | C15 H11 N3 O5 S |
| Smiles: | CC(c1ccc(cc1)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9968 |
| logD: | 1.5367 |
| logSw: | -2.9367 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.053 |
| InChI Key: | NSYOXQIIQBMPOY-UHFFFAOYSA-N |