The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM35133 |
|
|---|---|
6HNX |
|
Code
GFZ | |
|
Name |
4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide |
|
Molecular Weight |
454.56 |
|
Isomeric SMILES |
CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5 |
|
Formula |
C29H30N2O3 |
|
Identifiers |
4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C29H30N2O3/c1-20(2)31-16-14-29(15-17-31)19-26(32)25-18-23(12-13-27(25)34-29)21-8-10-22(11-9-21)28(33)30-24-6-4-3-5-7-24/h3-13,18,20H,14-17,19H2,1-2H3,(H,30,33) |
|
Atom Count |
64 |
|
InChIKey |
XQDWUPXCNFCIBY-UHFFFAOYSA-N |
|
PDB codes |
6HNX |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
68 |
|
Aromatic Bond Count |
18 |
|
Leaving Atoms |
n/a |