Chemical ID: 7666285

CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCCC4)C#N)c5ccc(cc5)SC)C(=O)C1)C
Chemical ID:
7666285
Name [?]:
None
SMILES [?]:
CC1(CC2=C(C(CC(=O)N2c3c(c4c(s3)CCCCC4)C#N)c5ccc(cc5)SC)C(=O)C1)C
InChi [?]:
InChI=1/C28H30N2O2S2/c1-28(2)14-22-26(23(31)15-28)20(17-9-11-18(33-3)12-10-17)13-25(32)30(22)27-21(16-29)19-7-5-4-6-8-24(19)34-27/h9-12,20H,4-8,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,30,18,19,17,20,16,24,28,25,27,7,3,33,21,23,26,13,6,12,4,31,14,8,5,11,2,22,10,32,9,29,15/E:(1,2)(9,10)(11,12)/rA:34cCCCCCCCCONCCCCSCCCCCCNCCCCCCSCCOCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s4s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s18;s13s19;s12;t21;s6;s23;d24;s25;d26;d23s27;s26;s29;s5;d31;s2s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N2O2S2
All Atoms:64
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:13.2757
Area:675.515
Solvation:-3.61221
Coulombic:-27.6919
Bond Count [?]
All:38
Single:29
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.46
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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