ChemDB: Chemical Search
Download
Chemical ID: 7391210
Chemical ID:
7391210
Name [?]:
None
SMILES [?]:
CC1CC2=C(C(N(c3ccccc3N2)C(=O)c4ccc(cc4)OC)c5ccccc5)C(=O)C1
InChi [?]:
InChI=1/C28H26N2O3/c1-18-16-23-26(25(31)17-18)27(19-8-4-3-5-9-19)30(24-11-7-6-10-22(24)29-23)28(32)20-12-14-21(33-2)15-13-20/h3-15,18,27,29H,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,28,27,29,11,10,26,30,12,9,18,22,19,21,3,33,2,25,17,20,13,4,8,31,5,6,15,14,7,32,16,23/E:(4,5)(8,9)(12,13)(14,15)/rA:33cCCCCCCNCCCCCCNCOCCCCCCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;s6;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s6;s25;d26;s27;d28;d25s29;s5;d31;s2s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H26N2O3 |
All Atoms: | 59 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.56 |
Area: | 608.78 |
Solvation: | -4.65956 |
Coulombic: | -45.0846 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 438.518 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.86 |
LogP (Chemaxon): | 4.27 |
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 |
---|