Chemical ID: 3855985

CC(C)CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)C3CCCCC3
Chemical ID:
3855985
Name [?]:
N-isobutyl-N-[4-(4-methoxyphenyl)thiazol-2-yl]-cyclohexanecarboxamide
SMILES [?]:
CC(C)CN(c1nc(cs1)c2ccc(cc2)OC)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H28N2O2S/c1-15(2)13-23(20(24)17-7-5-4-6-8-17)21-22-19(14-26-21)16-9-11-18(25-3)12-10-16/h9-12,14-15,17H,4-8,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,18,24,23,25,22,26,12,16,13,15,4,9,2,11,21,14,8,19,6,7,5,20,17,10/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCNCNCCSCCCCCCOCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;s5;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8646
Area:557.654
Solvation:-3.07677
Coulombic:-31.9377
Bond Count [?]
All:28
Single:22
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:372.525
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.16
LogP (Chemaxon):5.32

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Descriptor Annotations

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