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Chemical ID: 5928444
Chemical ID:
5928444
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c(n2Cc4ccccc4F)nc(nn3)SCCCCC(=O)NCCOC
InChi [?]:
InChI=1/C25H28FN5O2S/c1-17-10-11-21-19(15-17)23-24(31(21)16-18-7-3-4-8-20(18)26)28-25(30-29-23)34-14-6-5-9-22(32)27-12-13-33-2/h3-4,7-8,10-11,15H,5-6,9,12-14,16H2,1-2H3,(H,27,32)
InChi Info:
AuxInfo=1/1/N:1,34,14,15,26,25,13,16,27,3,4,31,32,24,7,11,2,12,6,17,5,28,8,9,20,18,30,19,22,21,10,29,33,23/rA:34nCCCCCCCCCNCCCCCCCFNCNNSCCCCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d9;s19;d20;d8s21;s20;s23;s24;s25;s26;s27;d28;s28;s30;s31;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28FN5O2S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7704 |
Area: | 747.279 |
Solvation: | -4.91153 |
Coulombic: | -52.5842 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 481.587 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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