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Chemical ID: 6024262
Chemical ID:
6024262
Name [?]:
N-allyl-N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]propanamide
SMILES [?]:
CCC(=O)N(CC=C)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C
InChi [?]:
InChI=1/C24H32N2O4S/c1-6-12-25(23(27)7-2)17-24(28)26(16-22-18(3)11-14-31-22)13-10-19-8-9-20(29-4)21(15-19)30-5/h6,8-9,11,14-15H,1,7,10,12-13,16-17H2,2-5H3
InChi Info:
AuxInfo=1/0/N:8,1,31,24,22,7,2,16,17,14,28,6,13,29,20,25,9,27,15,18,19,26,3,10,5,12,4,11,23,21,30/rA:31nCCCONCCCCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;d3;s3;s5;s6;d7;s5;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s12;s25;d26;s27;d28;s26s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O4S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0542 |
Area: | 697.438 |
Solvation: | -7.3817 |
Coulombic: | -48.175 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 444.588 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.38 |
LogP (Chemaxon): | 3.18 |
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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