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Chemical ID: 7461694
Chemical ID:
7461694
Name [?]:
None
SMILES [?]:
CC1(CC(=C2C(c3c(c(sc3N=C2C1)C(=O)c4ccccc4)N)c5ccc(cc5)F)O)C
InChi [?]:
InChI=1/C26H23FN2O2S/c1-26(2)12-17-20(18(30)13-26)19(14-8-10-16(27)11-9-14)21-22(28)24(32-25(21)29-17)23(31)15-6-4-3-5-7-15/h3-11,19,30H,12-13,28H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,20,19,21,18,22,25,29,26,28,14,3,24,17,27,13,4,6,5,7,8,15,9,11,2,30,23,12,31,16,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:32cCCCCCCCCCSCNCCCOCCCCCCNCCCCCCFOC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d7s10;s11;s5d12;s2s13;s9;d15;s15;s17;d18;s19;d20;d17s21;s8;s6;s24;d25;s26;d27;d24s28;s27;s4;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23FN2O2S |
All Atoms: | 55 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2358 |
Area: | 603.771 |
Solvation: | -3.85842 |
Coulombic: | -52.8927 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.34 |
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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