Chemical ID: 3862256

CN(C)CCCN(c1nc(cs1)c2ccccc2)C(=O)C3CCCCC3
Chemical ID:
3862256
Name [?]:
N-(3-dimethylaminopropyl)-N-(4-phenylthiazol-2-yl)-cyclohexanecarboxamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccccc2)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C21H29N3OS/c1-23(2)14-9-15-24(20(25)18-12-7-4-8-13-18)21-22-19(16-26-21)17-10-5-3-6-11-17/h3,5-6,10-11,16,18H,4,7-9,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,24,15,17,23,25,5,14,18,22,26,4,6,11,13,21,10,19,8,9,2,7,20,12/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:26nCNCCCCNCNCCSCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s7;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H29N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4535
Area:588.258
Solvation:-3.25298
Coulombic:-28.4692
Bond Count [?]
All:28
Single:22
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.541
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):4.39

Name Annotations

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Descriptor Annotations

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