Chemical ID: 6240303

Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3OC)OC)c4ccc(cc4)F
Chemical ID:
6240303
Name [?]:
N-[8-(4-fluorophenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-2,3-dimethoxy-benzamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)c3cccc(c3OC)OC)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H20FN3O3/c1-14-11-12-27-19(13-14)25-20(15-7-9-16(24)10-8-15)22(27)26-23(28)17-5-4-6-18(29-2)21(17)30-3/h4-13H,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,23,21,16,15,17,25,29,26,28,3,4,7,2,24,27,14,18,6,9,19,10,12,30,8,11,5,13,22,20/E:(7,8)(9,10)/rA:30nCCCCNCCNCCNCOCCCCCCOCOCCCCCCCF/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s18;s22;s9;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20FN3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.05722
Area:601.291
Solvation:-6.97506
Coulombic:-50.9279
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.422
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.48
LogP (Chemaxon):4.52

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Descriptor Annotations

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