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Chemical ID: 5876481
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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