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Chemical ID: 3862273
Chemical ID:
3862273
Name [?]:
N-(3-diethylaminopropyl)-N-(4-phenylthiazol-2-yl)-cyclohexanecarboxamide
SMILES [?]:
CCN(CC)CCCN(c1nc(cs1)c2ccccc2)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C23H33N3OS/c1-3-25(4-2)16-11-17-26(22(27)20-14-9-6-10-15-20)23-24-21(18-28-23)19-12-7-5-8-13-19/h5,7-8,12-13,18,20H,3-4,6,9-11,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,18,26,17,19,25,27,7,16,20,24,28,6,8,13,15,23,12,21,10,11,3,9,22,14/E:(1,2)(3,4)(7,8)(9,10)(12,13)(14,15)/rA:28nCCNCCCCCNCNCCSCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s9;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N3OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.891 |
Area: | 643.699 |
Solvation: | -3.20148 |
Coulombic: | -28.7964 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 399.594 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.22 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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