Chemical ID: 3855588

c1cc(ccc1C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5)F
Chemical ID:
3855588
Name [?]:
None
SMILES [?]:
c1cc(ccc1C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5)F
InChi [?]:
InChI=1/C24H26FN3O2S/c25-17-10-8-16(9-11-17)23-22-18-6-2-3-7-19(18)31-24(22)28(20(29)14-26-23)15-21(30)27-12-4-1-5-13-27/h8-11H,1-7,12-15H2
InChi Info:
AuxInfo=1/0/N:28,20,19,27,29,21,18,1,5,2,4,26,30,9,22,6,3,15,16,10,23,14,7,13,31,8,25,12,11,24,17/E:(4,5)(8,9)(10,11)(12,13)/rA:31nCCCCCCCNCCONCCCCSCCCCCCONCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;d10;s10;s12;s7d13;s14;d15;s13s16;s16;s18;s19;s15s20;s12;s22;d23;s23;s25;s26;s27;s28;s25s29;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26FN3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.7545
Area:607.256
Solvation:-4.42695
Coulombic:-42.9806
Bond Count [?]
All:35
Single:27
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:439.547
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.35
LogP (Chemaxon):2.94

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Descriptor Annotations

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