Chemical ID: 5914935

CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
Chemical ID:
5914935
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylcarbamoyl-sec-butyl-amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCC(C)N(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
InChi [?]:
InChI=1/C24H35N3O4S/c1-7-18(2)27(24(29)25(3)4)17-23(28)26(16-20-9-8-14-32-20)13-12-19-10-11-21(30-5)22(15-19)31-6/h8-11,14-15,18H,7,12-13,16-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,4,31,32,21,19,2,25,24,13,14,11,10,26,17,22,6,3,12,23,15,16,7,28,30,9,5,8,29,20,18,27/E:(3,4)/rA:32cCCCCNCCONCCCCCCCCOCOCCCCCCSCONCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s9;s22;d23;s24;d25;s23s26;s5;d28;s28;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35N3O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.5682
Area:697.914
Solvation:-6.87969
Coulombic:-57.7031
Bond Count [?]
All:33
Single:26
Double:7
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:461.619
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.39
LogP (Chemaxon):2.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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