Chemical ID: 6290509

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccccc3F)OC
Chemical ID:
6290509
Name [?]:
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccccc3F)OC
InChi [?]:
InChI=1/C24H25FN2O2S/c1-17-8-13-23(29-3)22(14-17)26-24(30)27(16-19-6-4-5-7-21(19)25)15-18-9-11-20(28-2)12-10-18/h4-14H,15-16H2,1-3H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,20,30,24,25,23,26,3,14,18,15,17,4,7,12,21,2,13,22,16,27,6,5,9,28,8,11,19,29,10/E:(9,10)(11,12)/rA:30nCCCCCCCNCSNCCCCCCCOCCCCCCCCFOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s11;s21;s22;d23;s24;d25;d22s26;s27;s5;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25FN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.9326
Area:634.697
Solvation:-4.93487
Coulombic:-40.9801
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.532
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.1
LogP (Chemaxon):5.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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