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Chemical ID: 6025386
Chemical ID:
6025386
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)c3cccs3
InChi [?]:
InChI=1/C24H28N2O3S2/c1-19-11-15-31-22(19)17-26(16-20-8-4-3-5-9-20)23(27)18-25(12-7-13-29-2)24(28)21-10-6-14-30-21/h3-6,8-11,14-15H,7,12-13,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,13,12,14,29,21,11,15,28,3,20,22,30,4,9,7,18,2,10,27,6,16,25,19,8,17,26,23,31,5/E:(4,5)(8,9)/rA:31nCCCCSCCNCCCCCCCCOCNCCCOCCOCCCCS/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s19;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O3S2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0737 |
Area: | 648.39 |
Solvation: | -5.13606 |
Coulombic: | -44.3765 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 456.623 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 3.1 |
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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