Chemical ID: 6319171

Cc1ccccc1C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)NC(C)(C)C
Chemical ID:
6319171
Name [?]:
2-(2-methylbenzoyl)amino-N,6-ditert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2c(c3c(s2)CC(CC3)C(C)(C)C)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C25H34N2O2S/c1-15-10-8-9-11-17(15)21(28)26-23-20(22(29)27-25(5,6)7)18-13-12-16(24(2,3)4)14-19(18)30-23/h8-11,16H,12-14H2,1-7H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,28,29,30,4,5,3,6,18,19,16,2,17,7,13,14,12,8,24,11,20,27,10,26,9,25,15/E:(2,3,4)(5,6,7)/rA:30cCCCCCCCCONCCCCSCCCCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;s13s18;s17;s20;s20;s20;s12;d24;s24;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.7907
Area:647.653
Solvation:-2.40062
Coulombic:-45.7718
Bond Count [?]
All:32
Single:25
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:426.616
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.47
LogP (Chemaxon):5.86

Name Annotations

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Descriptor Annotations

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