4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one
4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
Compound ID: | 0570-0024 |
Compound Name: | 4-(benzylamino)-3-nitro-2H-1-benzothiopyran-2-one |
Molecular Weight: | 312.34 |
Molecular Formula: | C16 H12 N2 O3 S |
Smiles: | C(c1ccccc1)NC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.1347 |
logD: | 2.5386 |
logSw: | -3.6957 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.965 |
InChI Key: | CBIACJWRJQGSOI-UHFFFAOYSA-N |