Chemical ID: 5915854

C=CCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCC3
Chemical ID:
5915854
Name [?]:
N-allyl-N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]cyclobutanecarboxamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)C3CCC3
InChi [?]:
InChI=1/C22H26N2O2S/c1-2-13-23(22(26)19-10-6-11-19)17-21(25)24(16-20-12-7-14-27-20)15-18-8-4-3-5-9-18/h2-5,7-9,12,14,19H,1,6,10-11,13,15-17H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,26,19,11,15,25,27,18,3,20,9,16,5,10,24,17,6,22,4,8,7,23,21/E:(4,5)(8,9)(10,11)/rA:27nCCCNCCONCCCCCCCCCCCCSCOCCCC/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;s25;s24s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3676
Area:598.517
Solvation:-3.59527
Coulombic:-36.6967
Bond Count [?]
All:29
Single:21
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:382.52
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.04
LogP (Chemaxon):3.42

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Descriptor Annotations

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