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Chemical ID: 5918767
Chemical ID:
5918767
Name [?]:
N-benzyl-2-(ethylcarbamoyl-(2-methoxyethyl)amino)-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CCOC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H29N3O3S/c1-4-22-21(26)23(12-13-27-3)16-20(25)24(14-18-8-6-5-7-9-18)15-19-11-10-17(2)28-19/h5-11H,4,12-16H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,28,10,2,19,18,20,17,21,25,24,7,8,15,22,11,26,16,23,12,4,3,6,14,13,5,9,27/E:(6,7)(8,9)/rA:28nCCNCONCCOCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s14;s22;d23;s24;d25;s23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29N3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9975 |
Area: | 652.397 |
Solvation: | -5.31246 |
Coulombic: | -55.9177 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 403.539 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.37 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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