Chemical ID: 7663914

CCOc1ccc(cc1)C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)c4c(c5c(s4)CCCC5)C#N
Chemical ID:
7663914
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)c4c(c5c(s4)CCCC5)C#N
InChi [?]:
InChI=1/C28H30N2O3S/c1-4-33-18-11-9-17(10-12-18)20-13-25(32)30(22-14-28(2,3)15-23(31)26(20)22)27-21(16-29)19-7-5-6-8-24(19)34-27/h9-12,20H,4-8,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,2,31,30,32,29,6,8,5,9,11,21,19,33,7,4,26,10,25,15,17,27,12,16,24,20,34,14,18,13,3,28/E:(2,3)(9,10)(11,12)/rA:34cCCOCCCCCCCCCONCCCOCCCCCCCCCSCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s10d15;s16;d17;s17;s19;s15s20;s20;s20;s14;d24;s25;d26;s24s27;s27;s29;s30;s26s31;s25;t33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N2O3S
All Atoms:64
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:12.2197
Area:676.033
Solvation:-4.6811
Coulombic:-33.6251
Bond Count [?]
All:38
Single:29
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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