Chemical ID: 7663609

CCc1ccc(cc1)C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCCCC5)C#N
Chemical ID:
7663609
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2CC(=O)N(C3=C2C(=O)CCC3)c4c(c5c(s4)CCCCCC5)C#N
InChi [?]:
InChI=1/C28H30N2O2S/c1-2-18-12-14-19(15-13-18)21-16-26(32)30(23-9-7-10-24(31)27(21)23)28-22(17-29)20-8-5-3-4-6-11-25(20)33-28/h12-15,21H,2-11,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,28,30,27,19,31,20,18,26,4,8,5,7,10,32,3,6,23,9,22,14,16,24,11,15,21,33,13,17,12,25/E:(12,13)(14,15)/rA:33cCCCCCCCCCCCONCCCOCCCCCCCSCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s9d14;s15;d16;s16;s18;s14s19;s13;d21;s22;d23;s21s24;s24;s26;s27;s28;s29;s23s30;s22;t32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N2O2S
All Atoms:63
Heavy Atoms:33
Chiral Atoms:None
ZAP Information [?]
Total:12.8117
Area:652.98
Solvation:-3.51276
Coulombic:-26.988
Bond Count [?]
All:37
Single:28
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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