Chemical ID: 6027169

CCNC(=O)N(CCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
Chemical ID:
6027169
Name [?]:
N-benzyl-2-(ethylcarbamoyl-(2-methoxyethyl)amino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
InChi [?]:
InChI=1/C21H29N3O3S/c1-4-22-21(26)23(11-12-27-3)16-20(25)24(14-18-8-6-5-7-9-18)15-19-17(2)10-13-28-19/h5-10,13H,4,11-12,14-16H2,1-3H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,28,10,2,19,18,20,17,21,25,7,8,26,15,22,11,24,16,23,12,4,3,6,14,13,5,9,27/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0191
Area:619.202
Solvation:-4.46094
Coulombic:-56.7043
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:1.67
LogP (Chemaxon):2.22

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Descriptor Annotations

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