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Chemical ID: 5914935
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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