Chemical ID: 5916234

Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)C(C)C
Chemical ID:
5916234
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-2-methyl-propanamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(C3CCCCC3)C(=O)C(C)C
InChi [?]:
InChI=1/C25H34N2O2S/c1-19(2)25(29)27(22-12-8-5-9-13-22)18-24(28)26(16-21-10-6-4-7-11-21)17-23-15-14-20(3)30-23/h4,6-7,10-11,14-15,19,22H,5,8-9,12-13,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:29,30,1,13,23,12,14,22,24,11,15,21,25,3,4,9,7,18,28,2,10,20,5,16,26,8,19,17,27,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCSCNCCCCCCCCOCNCCCCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;s19;d26;s26;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.7017
Area:640.797
Solvation:-3.31825
Coulombic:-35.4774
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.616
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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