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Chemical ID: 5938447
Chemical ID:
5938447
Name [?]:
N-[4-[2-(cyclohexyl-methyl-amino)thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILES [?]:
CN(c1nc(cs1)c2ccc(cc2)NC(=O)C3CC3)C4CCCCC4
InChi [?]:
InChI=1/C20H25N3OS/c1-23(17-5-3-2-4-6-17)20-22-18(13-25-20)14-9-11-16(12-10-14)21-19(24)15-7-8-15/h9-13,15,17H,2-8H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,18,19,9,13,10,12,6,8,17,11,20,5,15,3,14,4,2,16,7/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:25nCNCNCCSCCCCCCNCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s17s18;s2;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1333 |
Area: | 587.008 |
Solvation: | -2.54191 |
Coulombic: | -34.4199 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.498 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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