Chemical ID: 6025368

CCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
Chemical ID:
6025368
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)pentanamide
SMILES [?]:
CCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C
InChi [?]:
InChI=1/C24H34N2O3S/c1-4-5-12-23(27)25(14-9-15-29-3)19-24(28)26(17-21-10-7-6-8-11-21)18-22-20(2)13-16-30-22/h6-8,10-11,13,16H,4-5,9,12,14-15,17-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,12,2,3,21,20,22,9,19,23,4,27,8,10,28,17,24,13,26,18,25,5,14,7,16,6,15,11,29/E:(7,8)(10,11)/rA:30nCCCCCONCCCOCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9365
Area:697.28
Solvation:-5.49551
Coulombic:-42.0113
Bond Count [?]
All:31
Single:24
Double:7
Rotors:15
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:430.604
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.35
LogP (Chemaxon):3.37

Name Annotations

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Descriptor Annotations

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