Chemical ID: 6009114

CCCCCCN(CC(=O)Nc1nccs1)C(=O)C2CC2c3ccccc3
Chemical ID:
6009114
Name [?]:
N-hexyl-2-phenyl-N-(thiazol-2-ylcarbamoylmethyl)cyclopropane-1-carboxamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)C2CC2c3ccccc3
InChi [?]:
InChI=1/C21H27N3O2S/c1-2-3-4-8-12-24(15-19(25)23-21-22-11-13-27-21)20(26)18-14-17(18)16-9-6-5-7-10-16/h5-7,9-11,13,17-18H,2-4,8,12,14-15H2,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,25,24,26,5,23,27,14,6,15,20,8,22,21,19,9,17,12,13,11,7,10,18,16/E:(6,7)(9,10)/rA:27cCCCCCCNCCONCNCCSCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;s19s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.0949
Area:644.129
Solvation:-5.00836
Coulombic:-41.6604
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:385.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.24
LogP (Chemaxon):4.04

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Descriptor Annotations

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