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Chemical ID: 5916176
Chemical ID:
5916176
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)C
InChi [?]:
InChI=1/C20H26N2O3S/c1-16-9-10-19(26-16)14-22(13-18-7-5-4-6-8-18)20(24)15-21(17(2)23)11-12-25-3/h4-10H,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,23,13,12,14,11,15,3,4,20,21,9,7,18,2,24,10,5,16,19,8,25,17,22,6/E:(5,6)(7,8)/rA:26nCCCCCSCNCCCCCCCCOCNCCOCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.776 |
Area: | 596.323 |
Solvation: | -6.13206 |
Coulombic: | -39.2185 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.498 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.31 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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