Chemical ID: 7166868

Cc1cc(n(n1)C)c2c3c(n(n2)c4ccccc4)OC(=C(C3c5cccc(c5OC)OC)C#N)N
Chemical ID:
7166868
Name [?]:
4-amino-2-(2,3-dimethoxyphenyl)-9-(2,5-dimethylpyrazol-3-yl)-7-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3-carbonitrile
SMILES [?]:
Cc1cc(n(n1)C)c2c3c(n(n2)c4ccccc4)OC(=C(C3c5cccc(c5OC)OC)C#N)N
InChi [?]:
InChI=1/C26H24N6O3/c1-15-13-19(31(2)29-15)23-22-21(17-11-8-12-20(33-3)24(17)34-4)18(14-27)25(28)35-26(22)32(30-23)16-9-6-5-7-10-16/h5-13,21H,28H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,7,32,30,16,15,17,25,14,18,24,26,3,33,2,13,23,21,4,27,22,9,8,28,20,10,34,35,6,12,5,11,31,29,19/E:(6,7)(9,10)/rA:35cCCCCNNCCCCNNCCCCCCOCCCCCCCCCOCOCCNN/rB:s1;s2;d3;s4;d2s5;s5;s4;s8;d9;s10;d8s11;s11;s13;d14;s15;d16;d13s17;s10;s19;d20;s9s21;s22;s23;d24;s25;d26;d23s27;s28;s29;s27;s31;s21;t33;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N6O3
All Atoms:59
Heavy Atoms:35
Chiral Atoms:None
ZAP Information [?]
Total:10.1321
Area:637.341
Solvation:-5.80146
Coulombic:-52.6142
Bond Count [?]
All:39
Single:27
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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