Chemical ID: 5927211

CC(C)(C)c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCC(=O)NC5CCCCC5
Chemical ID:
5927211
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)Cn2c3ccccc3c4c2nc(nn4)SCC(=O)NC5CCCCC5
InChi [?]:
InChI=1/C28H33N5OS/c1-28(2,3)20-15-13-19(14-16-20)17-33-23-12-8-7-11-22(23)25-26(33)30-27(32-31-25)35-18-24(34)29-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17-18H2,1-3H3,(H,29,34)
InChi Info:
AuxInfo=1/1/N:1,3,4,33,32,34,16,15,31,35,17,14,7,9,6,10,11,26,8,5,30,18,13,27,19,20,22,2,29,21,24,23,12,28,25/E:(1,2,3)(5,6)(9,10)(13,14)(15,16)/rA:35nCCCCCCCCCCCNCCCCCCCCNCNNSCCONCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s21;d22;d19s23;s22;s25;s26;d27;s27;s29;s30;s31;s32;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33N5OS
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:15.87
Area:748.978
Solvation:-2.85444
Coulombic:-42.5754
Bond Count [?]
All:39
Single:29
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:487.661
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.11
LogP (Chemaxon):6.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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