3-(4-butylanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-(4-butylanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-(4-butylanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8003-7528 |
| Compound Name: | 3-(4-butylanilino)-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2146 |
| logD: | 4.2088 |
| logSw: | -4.3113 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.844 |
| InChI Key: | BQTKIBWUKUDDGV-UHFFFAOYSA-N |