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Chemical ID: 5939919
Chemical ID:
5939919
Name [?]:
N-[4-[2-(3,4-dichlorophenyl)aminothiazol-4-yl]phenyl]cyclohexanecarboxamide
SMILES [?]:
c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)Cl)Cl)NC(=O)C4CCCCC4
InChi [?]:
InChI=1/C22H21Cl2N3OS/c23-18-11-10-17(12-19(18)24)26-22-27-20(13-29-22)14-6-8-16(9-7-14)25-21(28)15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:27,26,28,25,29,1,5,2,4,14,15,18,8,6,24,3,13,16,17,7,22,10,20,19,21,12,11,23,9/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCCSCNNCCCCCCClClNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s3;s21;d22;s22;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21Cl2N3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0573 |
Area: | 665.288 |
Solvation: | -2.57488 |
Coulombic: | -40.3411 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 446.393 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.48 |
LogP (Chemaxon): | 6.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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