ChemDB: Chemical Search
Download
Chemical ID: 6599288
Chemical ID:
6599288
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)CC(=O)Nc4ccc(cc4)Br
InChi [?]:
InChI=1/C19H16BrN3O3/c20-13-5-7-14(8-6-13)21-16(24)11-23-17(25)19(22-18(23)26)10-9-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,21,24)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,24,21,25,7,8,16,5,23,20,4,17,10,13,9,26,19,15,12,18,11,14/E:(5,6)(7,8)/rA:26cCCCCCCCCCCONCONCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;d10;s10;s12;d13;s9s13;s12;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16BrN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3392 |
Area: | 558.62 |
Solvation: | -3.62634 |
Coulombic: | -61.3712 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 414.253 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.98 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|