Chemical ID: 6025386

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(CCCOC)C(=O)c3cccs3
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

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