4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | 8011-4659 |
Compound Name: | 4-{[2-(tert-butylsulfanyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one |
Molecular Weight: | 322.38 |
Molecular Formula: | C15 H18 N2 O4 S |
Smiles: | CC(C)(C)SCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.5891 |
logD: | 2.2871 |
logSw: | -3.3926 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.006 |
InChI Key: | UPGOFVKMPASMQY-UHFFFAOYSA-N |