Chemical ID: 3855575

CC(C)(C)c1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5
Chemical ID:
3855575
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCCC4)CC(=O)N5CCCCC5
InChi [?]:
InChI=1/C28H35N3O2S/c1-28(2,3)20-13-11-19(12-14-20)26-25-21-9-5-6-10-22(21)34-27(25)31(23(32)17-29-26)18-24(33)30-15-7-4-8-16-30/h11-14H,4-10,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,32,24,23,31,33,25,22,7,9,6,10,30,34,13,26,8,5,19,20,14,27,18,11,17,2,12,29,16,15,28,21/E:(1,2,3)(7,8)(11,12)(13,14)(15,16)/rA:34nCCCCCCCCCCCNCCONCCCCSCCCCCCONCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;d14;s14;s16;s11d17;s18;d19;s17s20;s20;s22;s23;s19s24;s16;s26;d27;s27;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35N3O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.5656
Area:683.523
Solvation:-3.52243
Coulombic:-40.7929
Bond Count [?]
All:38
Single:30
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:477.663
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):4.43

Name Annotations

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Descriptor Annotations

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