7-fluoro-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of
7-fluoro-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
7-fluoro-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine
Compound characteristics
Compound ID: | D165-0029 |
Compound Name: | 7-fluoro-4-(4-nitrophenyl)-2-(thiophen-2-yl)-1H-1,3,5-benzotriazepine |
Molecular Weight: | 366.37 |
Molecular Formula: | C18 H11 F N4 O2 S |
Smiles: | c1cc(C2Nc3ccc(cc3N=C(c3ccc(cc3)[N+]([O-])=O)N=2)F)sc1 |
Stereo: | ACHIRAL |
logP: | 4.3631 |
logD: | 4.363 |
logSw: | -4.554 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.875 |
InChI Key: | LGZJOBHHJCEKDK-UHFFFAOYSA-N |