Chemical ID: 5928472

CCC(C(=O)NC(C)C)Sc1nc2c(c3cc(ccc3n2Cc4ccccc4F)C)nn1
Chemical ID:
5928472
Name [?]:
None
SMILES [?]:
CCC(C(=O)NC(C)C)Sc1nc2c(c3cc(ccc3n2Cc4ccccc4F)C)nn1
InChi [?]:
InChI=1/C24H26FN5OS/c1-5-20(23(31)26-14(2)3)32-24-27-22-21(28-29-24)17-12-15(4)10-11-19(17)30(22)13-16-8-6-7-9-18(16)25/h6-12,14,20H,5,13H2,1-4H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,8,9,30,2,25,26,24,27,18,19,16,22,7,17,23,15,28,20,3,14,13,4,11,29,6,12,31,32,21,5,10/E:(2,3)/rA:32cCCCCONCCCSCNCCCCCCCCNCCCCCCCFCNN/rB:s1;s2;s3;d4;s4;s6;s7;s7;s3;s10;s11;d12;s13;s14;s15;d16;s17;d18;d15s19;s13s20;s21;s22;s23;d24;s25;d26;d23s27;s28;s17;d14;d11s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26FN5OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.6329
Area:658.372
Solvation:-3.82641
Coulombic:-45.0179
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:451.561
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.59
LogP (Chemaxon):5.54

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Descriptor Annotations

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