Chemical ID: 6031866

c1ccc(c(c1)CN(Cc2ccc(cc2)F)Cc3nc(cs3)C(=O)NCCN4CCOCC4)F
Chemical ID:
6031866
Name [?]:
2-[[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-morpholinoethyl)thiazole-4-carboxamide
SMILES [?]:
c1ccc(c(c1)CN(Cc2ccc(cc2)F)Cc3nc(cs3)C(=O)NCCN4CCOCC4)F
InChi [?]:
InChI=1/C25H28F2N4O2S/c26-21-7-5-19(6-8-21)15-31(16-20-3-1-2-4-22(20)27)17-24-29-23(18-34-24)25(32)28-9-10-30-11-13-33-14-12-30/h1-8,18H,9-17H2,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,15,12,14,26,27,29,33,30,32,9,7,17,21,10,5,13,4,20,18,23,16,34,25,19,28,8,24,31,22/E:(5,6)(7,8)(11,12)(13,14)/rA:34cCCCCCCCNCCCCCCCFCCNCCSCONCCNCCOCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s20;d23;s23;s25;s26;s27;s28;s29;s30;s31;s28s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28F2N4O2S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.5024
Area:723.572
Solvation:-6.58685
Coulombic:-55.2981
Bond Count [?]
All:37
Single:28
Double:9
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:486.578
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.9
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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