Chemical ID: 6240357

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)C(F)(F)F)c4ccc(c(c4)OC)OC
Chemical ID:
6240357
Name [?]:
N-[8-(3,4-dimethoxyphenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-3-(trifluoromethyl)benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3)C(F)(F)F)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C24H20F3N3O3/c1-14-9-10-30-20(11-14)28-21(15-7-8-18(32-2)19(13-15)33-3)22(30)29-23(31)16-5-4-6-17(12-16)24(25,26)27/h4-13H,1-3H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,31,16,15,17,25,26,3,4,7,19,29,2,24,14,18,27,28,6,9,10,12,20,21,22,23,8,11,5,13,32,30/E:(25,26,27)/rA:33nCCCCNCCNCCNCOCCCCCCCFFFCCCCCCOCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s9;s24;d25;s26;d27;d24s28;s28;s30;s27;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20F3N3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.23656
Area:650.114
Solvation:-7.01628
Coulombic:-65.9211
Bond Count [?]
All:36
Single:25
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:455.429
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.25
LogP (Chemaxon):5.27

Name Annotations

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Descriptor Annotations

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