Chemical ID: 6427994

CC(C)c1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CCNCC4
Chemical ID:
6427994
Name [?]:
None
SMILES [?]:
CC(C)c1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CCNCC4
InChi [?]:
InChI=1/C21H25FN2S/c1-14(2)15-4-6-20-18(11-15)19(24-9-7-23-8-10-24)12-16-3-5-17(22)13-21(16)25-20/h3-6,11,13-14,19,23H,7-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,5,14,6,22,24,21,25,9,11,16,2,4,12,15,8,10,7,17,19,23,20,18/E:(1,2)(7,8)(9,10)/rA:25cCCCCCCCCCCCCCCCCCSFNCCNCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25FN2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.0447
Area:535.028
Solvation:-2.33102
Coulombic:-20.4231
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.501
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.89
LogP (Chemaxon):5.27

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Descriptor Annotations

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