Chemical ID: 5876481

CC(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)CC(C)(C)C
Chemical ID:
5876481
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5,5-trimethyl-N-(2-thienylmethyl)hexanamide
SMILES [?]:
CC(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)CC(C)(C)C
InChi [?]:
InChI=1/C24H35NO3S/c1-18(16-24(2,3)4)14-23(26)25(17-20-8-7-13-29-20)12-11-19-9-10-21(27-5)22(15-19)28-6/h7-10,13,15,18H,11-12,14,16-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,27,28,29,18,16,22,21,10,11,8,7,23,3,14,25,19,2,9,20,12,13,4,26,6,5,17,15,24/E:(2,3,4)/rA:29cCCCCONCCCCCCCCOCOCCCCCCSCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s6;s19;d20;s21;d22;s20s23;s2;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H35NO3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.2693
Area:674.882
Solvation:-5.60278
Coulombic:-32.9715
Bond Count [?]
All:30
Single:24
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:417.606
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.64
LogP (Chemaxon):5.09

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Descriptor Annotations

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