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Chemical ID: 3855588
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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