ChemDB: Chemical Search
Download
Chemical ID: 6453073
Chemical ID:
6453073
Name [?]:
None
SMILES [?]:
CC(=C1C(=O)c2ccccc2C1=O)N3c4ccccc4NC5=C(C3c6ccc(cc6)C(F)(F)F)C(=O)CC(C5)(C)C
InChi [?]:
InChI=1/C33H27F3N2O3/c1-18(27-30(40)21-8-4-5-9-22(21)31(27)41)38-25-11-7-6-10-23(25)37-24-16-32(2,3)17-26(39)28(24)29(38)19-12-14-20(15-13-19)33(34,35)36/h4-15,29,37H,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,40,41,8,9,18,17,7,10,19,16,26,30,27,29,39,37,2,25,28,6,11,20,22,15,35,3,23,24,4,12,38,31,32,33,34,21,14,36,5,13/E:(2,3)(4,5)(8,9)(12,13)(14,15)(21,22)(30,31)(34,35,36)(40,41)/rA:41cCCCCOCCCCCCCONCCCCCCNCCCCCCCCCCFFFCOCCCCC/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s3s11;d12;s2;s14;s15;d16;s17;d18;d15s19;s20;s21;d22;s14s23;s24;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;s23;d35;s35;s37;s22s38;s38;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H27F3N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 41 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4186 |
Area: | 667.171 |
Solvation: | -4.26066 |
Coulombic: | -62.6003 |
Bond Count [?]
All: | 46 |
Single: | 32 |
Double: | 14 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 556.574 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.14 |
LogP (Chemaxon): | 6.07 |
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 |
---|