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Chemical ID: 6031524
Chemical ID:
6031524
Name [?]:
N-cyclopropyl-2-[[(2-fluorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazole-4-carboxamide
SMILES [?]:
c1ccc(c(c1)CN(Cc2cccc(c2)C(F)(F)F)Cc3nc(cs3)C(=O)NC4CC4)F
InChi [?]:
InChI=1/C23H21F4N3OS/c24-19-7-2-1-5-16(19)12-30(11-15-4-3-6-17(10-15)23(25,26)27)13-21-29-20(14-32-21)22(31)28-18-8-9-18/h1-7,10,14,18H,8-9,11-13H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,6,13,3,30,31,15,9,7,20,24,10,5,14,29,4,23,21,26,16,32,17,18,19,28,22,8,27,25/E:(8,9)(25,26,27)/rA:32cCCCCCCCNCCCCCCCCFFFCCNCCSCONCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s8;s20;d21;s22;d23;s21s24;s23;d26;s26;s28;s29;s29s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21F4N3OS |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1103 |
Area: | 667.378 |
Solvation: | -4.57412 |
Coulombic: | -57.8242 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 463.492 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.81 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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