2-amino-3-carbamoyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium--trifluoroacetate (1/1)
Chemical Structure Depiction of
2-amino-3-carbamoyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium--trifluoroacetate (1/1)
2-amino-3-carbamoyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium--trifluoroacetate (1/1)
Compound characteristics
| Compound ID: | 3474-0184 |
| Compound Name: | 2-amino-3-carbamoyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium--trifluoroacetate (1/1) |
| Molecular Weight: | 461.35 |
| Molecular Formula: | C18 H14 N5 O3 |
| Salt: | CF3COO- |
| Smiles: | c1ccc2c(c1)c1c(cc(C(N)=O)c(N)[n+]1c1ccc(cc1)[N+]([O-])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.3729 |
| logD: | 2.3729 |
| logSw: | -3.1544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 96.967 |
| InChI Key: | VWNUMGJCXJPMHU-UHFFFAOYSA-O |