Chemical ID: 6240332

Cc1ccn2c(c1)nc(c2NC(=O)c3ccccc3F)c4ccc(cc4)OC
Chemical ID:
6240332
Name [?]:
2-fluoro-N-[8-(4-methoxyphenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3ccccc3F)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H18FN3O2/c1-14-11-12-26-19(13-14)24-20(15-7-9-16(28-2)10-8-15)21(26)25-22(27)17-5-3-4-6-18(17)23/h3-13H,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,28,16,17,15,18,22,26,23,25,3,4,7,2,21,24,14,19,6,9,10,12,20,8,11,5,13,27/E:(7,8)(9,10)/rA:28nCCCCNCCNCCNCOCCCCCCFCCCCCCOC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s9;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.82095
Area:573.796
Solvation:-5.52395
Coulombic:-44.1027
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.396
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):4.78

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Descriptor Annotations

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