Chemical ID: 5927100

CCC(C)NC(=O)CSc1nc2c(c3ccccc3n2Cc4ccc(cc4)F)nn1
Chemical ID:
5927100
Name [?]:
None
SMILES [?]:
CCC(C)NC(=O)CSc1nc2c(c3ccccc3n2Cc4ccc(cc4)F)nn1
InChi [?]:
InChI=1/C22H22FN5OS/c1-3-14(2)24-19(29)13-30-22-25-21-20(26-27-22)17-6-4-5-7-18(17)28(21)12-15-8-10-16(23)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,17,15,18,23,27,24,26,21,8,3,22,25,14,19,6,13,12,10,28,5,11,29,30,20,7,9/E:(8,9)(10,11)/rA:30cCCCCNCOCSCNCCCCCCCCNCCCCCCCFNN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s12s19;s20;s21;s22;d23;s24;d25;d22s26;s25;d13;d10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22FN5OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.5084
Area:647.632
Solvation:-3.6824
Coulombic:-44.6657
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:423.508
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):4.53

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Descriptor Annotations

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