N-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
N-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8004-2187 |
| Compound Name: | N-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C13 H15 N3 O3 S2 |
| Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4271 |
| logD: | 3.4271 |
| logSw: | -3.8086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.014 |
| InChI Key: | BUXCWBQPNMEHLV-UHFFFAOYSA-N |