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Chemical ID: 7658384
Chemical ID:
7658384
Name [?]:
None
SMILES [?]:
CC(C)c1ccc2c(c1)C(Cc3cc(ccc3S2)F)N4CCN(CC4)C
InChi [?]:
InChI=1/C22H27FN2S/c1-15(2)16-4-6-22-19(13-16)20(25-10-8-24(3)9-11-25)14-17-12-18(23)5-7-21(17)26-22/h4-7,12-13,15,20H,8-11,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,26,5,15,6,16,22,24,21,25,13,9,11,2,4,12,14,8,10,17,7,19,23,20,18/E:(1,2)(8,9)(10,11)/rA:26cCCCCCCCCCCCCCCCCCSFNCCNCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s7s17;s14;s10;s20;s21;s22;s23;s20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H27FN2S |
All Atoms: | 53 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4901 |
Area: | 556.469 |
Solvation: | -2.42168 |
Coulombic: | -16.7229 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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