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Chemical ID: 3862256
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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Experimental Annotations
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Descriptor Annotations
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