butyl (6-nitro-1,3-benzothiazol-2-yl)carbamate
Chemical Structure Depiction of
butyl (6-nitro-1,3-benzothiazol-2-yl)carbamate
butyl (6-nitro-1,3-benzothiazol-2-yl)carbamate
Compound characteristics
Compound ID: | 5174-3445 |
Compound Name: | butyl (6-nitro-1,3-benzothiazol-2-yl)carbamate |
Molecular Weight: | 295.31 |
Molecular Formula: | C12 H13 N3 O4 S |
Smiles: | CCCCOC(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1905 |
logD: | 4.19 |
logSw: | -4.1991 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.119 |
InChI Key: | ICJZWRUGWZKZFM-UHFFFAOYSA-N |