Chemical ID: 5916525

Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N(Cc2ccccc2)Cc3ccc(s3)C
Chemical ID:
5916525
Name [?]:
N-allyl-N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC=C)CC(=O)N(Cc2ccccc2)Cc3ccc(s3)C
InChi [?]:
InChI=1/C26H28N2O2S/c1-4-16-27(26(30)23-13-10-20(2)11-14-23)19-25(29)28(17-22-8-6-5-7-9-22)18-24-15-12-21(3)31-24/h4-15H,1,16-19H2,2-3H3
InChi Info:
AuxInfo=1/0/N:13,1,31,12,22,21,23,20,24,3,7,28,4,6,27,11,18,25,14,2,29,19,5,26,15,8,10,17,16,9,30/E:(6,7)(8,9)(10,11)(13,14)/rA:31nCCCCCCCCONCCCCCONCCCCCCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s10;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s17;s25;d26;s27;d28;s26s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.0661
Area:637.11
Solvation:-3.86161
Coulombic:-38.4946
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:432.579
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):4.53

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Descriptor Annotations

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