Chemical ID: 6428000

CC(C)c1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CCN(CC4)CCc5ccc(cc5)F
Chemical ID:
6428000
Name [?]:
None
SMILES [?]:
CC(C)c1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CCN(CC4)CCc5ccc(cc5)F
InChi [?]:
InChI=1/C29H32F2N2S/c1-20(2)22-6-10-28-26(17-22)27(18-23-5-9-25(31)19-29(23)34-28)33-15-13-32(14-16-33)12-11-21-3-7-24(30)8-4-21/h3-10,17,19-20,27H,11-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,29,33,13,5,30,32,14,6,27,26,22,24,21,25,9,11,16,2,28,4,12,31,15,8,10,7,17,34,19,23,20,18/E:(1,2)(3,4)(7,8)(13,14)(15,16)/rA:34cCCCCCCCCCCCCCCCCCSFNCCNCCCCCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s7s17;s15;s10;s20;s21;s22;s23;s20s24;s23;s26;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H32F2N2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.9196
Area:699.688
Solvation:-3.57264
Coulombic:-21.846
Bond Count [?]
All:38
Single:29
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:478.641
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.15
LogP (Chemaxon):7.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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