Chemical ID: 5927107

CCC(C)NC(=O)CCCCSc1nc2c(c3ccccc3n2Cc4ccc(cc4)F)nn1
Chemical ID:
5927107
Name [?]:
None
SMILES [?]:
CCC(C)NC(=O)CCCCSc1nc2c(c3ccccc3n2Cc4ccc(cc4)F)nn1
InChi [?]:
InChI=1/C25H28FN5OS/c1-3-17(2)27-22(32)10-6-7-15-33-25-28-24-23(29-30-25)20-8-4-5-9-21(20)31(24)16-18-11-13-19(26)14-12-18/h4-5,8-9,11-14,17H,3,6-7,10,15-16H2,1-2H3,(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,4,2,19,20,9,10,18,21,8,26,30,27,29,11,24,3,25,28,17,22,6,16,15,13,31,5,14,32,33,23,7,12/E:(11,12)(13,14)/rA:33cCCCCNCOCCCCSCNCCCCCCCCNCCCCCCCFNN/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s13;d14;s15;s16;s17;d18;s19;d20;d17s21;s15s22;s23;s24;s25;d26;s27;d28;d25s29;s28;d16;d13s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28FN5OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:14.5227
Area:728.998
Solvation:-3.70227
Coulombic:-45.3918
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.587
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.94
LogP (Chemaxon):5.58

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Descriptor Annotations

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