N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
Compound characteristics
Compound ID: | D345-0480 |
Compound Name: | N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide |
Molecular Weight: | 347.39 |
Molecular Formula: | C16 H17 N3 O4 S |
Smiles: | [H]N(C(COc1ccccc1[N+]([O-])=O)=O)c1nc2CCC(C)Cc2s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8335 |
logD: | 3.751 |
logSw: | -4.0486 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.25 |
InChI Key: | PKKRGCAPWHDCDW-SNVBAGLBSA-N |