Chemical ID: 6032003

CCN(CC)C(=O)c1csc(n1)CN(Cc2ccc(cc2)F)Cc3cccc(c3)Cl
Chemical ID:
6032003
Name [?]:
2-[[(3-chlorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N,N-diethyl-thiazole-4-carboxamide
SMILES [?]:
CCN(CC)C(=O)c1csc(n1)CN(Cc2ccc(cc2)F)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C23H25ClFN3OS/c1-3-28(4-2)23(29)21-16-30-22(26-21)15-27(13-17-8-10-20(25)11-9-17)14-18-6-5-7-19(24)12-18/h5-12,16H,3-4,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,26,25,27,17,21,18,20,29,15,23,13,9,16,24,28,19,8,11,6,30,22,12,14,3,7,10/E:(1,2)(3,4)(8,9)(10,11)/rA:30cCCNCCCOCCSCNCNCCCCCCCFCCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25ClFN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.658
Area:643.658
Solvation:-3.43343
Coulombic:-35.8162
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:445.981
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.9
LogP (Chemaxon):4.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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