Chemical ID: 6506851

CC1(CC2=C(C(c3c(c(sc3N2)C(=O)c4ccccc4)N)c5ccc(cc5)F)C(=O)C1)C
Chemical ID:
6506851
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(c3c(c(sc3N2)C(=O)c4ccccc4)N)c5ccc(cc5)F)C(=O)C1)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/h3-11,19,29H,12-13,28H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,18,17,19,16,20,23,27,24,26,3,31,22,15,25,4,29,6,5,7,8,13,9,11,2,28,21,12,30,14,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:32cCCCCCCCCCSCNCOCCCCCCNCCCCCCFCOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d7s10;s4s11;s9;d13;s13;s15;d16;s17;d18;d15s19;s8;s6;s22;d23;s24;d25;d22s26;s25;s5;d29;s2s29;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23FN2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.4166
Area:607.53
Solvation:-3.77168
Coulombic:-50.4626
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:5.16
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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