Chemical ID: 4495871

CCc1c2c(n[nH]1)OC(=C(C23c4ccccc4N(C3=O)Cc5ccccc5)C#N)N
Chemical ID:
4495871
Name [?]:
None
SMILES [?]:
CCc1c2c(n[nH]1)OC(=C(C23c4ccccc4N(C3=O)Cc5ccccc5)C#N)N
InChi [?]:
InChI=1/C23H19N5O2/c1-2-17-19-21(27-26-17)30-20(25)16(12-24)23(19)15-10-6-7-11-18(15)28(22(23)29)13-14-8-4-3-5-9-14/h3-11H,2,13,25H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,14,15,23,27,13,16,28,21,22,12,10,3,17,4,9,5,19,11,29,30,7,6,18,20,8/E:(4,5)(8,9)/rA:30cCCCCCNNOCCCCCCCCCNCOCCCCCCCCNN/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s4s10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;d19;s18;s21;s22;d23;s24;d25;d22s26;s10;t28;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N5O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.1241
Area:548.423
Solvation:-3.58651
Coulombic:-54.9807
Bond Count [?]
All:34
Single:23
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:397.429
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.81
LogP (Chemaxon):3.54

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Descriptor Annotations

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