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Chemical ID: 5938443
Chemical ID:
5938443
Name [?]:
N-[4-[2-(cyclohexyl-methyl-amino)thiazol-4-yl]phenyl]-2-phenyl-acetamide
SMILES [?]:
CN(c1nc(cs1)c2ccc(cc2)NC(=O)Cc3ccccc3)C4CCCCC4
InChi [?]:
InChI=1/C24H27N3OS/c1-27(21-10-6-3-7-11-21)24-26-22(17-29-24)19-12-14-20(15-13-19)25-23(28)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,21,27,20,22,26,28,19,23,25,29,9,13,10,12,17,6,18,8,11,24,5,15,3,14,4,2,16,7/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCNCNCCSCCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s2;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0779 |
Area: | 654.513 |
Solvation: | -3.28489 |
Coulombic: | -35.359 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.557 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.68 |
LogP (Chemaxon): | 6.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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