Chemical ID: 6312700

Cc1ccc(c(c1)NC(=S)N(CCCN2CCOCC2)Cc3cccc(c3)F)C
Chemical ID:
6312700
Name [?]:
3-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-1-(3-morpholinopropyl)thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)N(CCCN2CCOCC2)Cc3cccc(c3)F)C
InChi [?]:
InChI=1/C23H30FN3OS/c1-18-7-8-19(2)22(15-18)25-23(29)27(17-20-5-3-6-21(24)16-20)10-4-9-26-11-13-28-14-12-26/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,29,24,13,23,25,3,4,14,12,16,20,17,19,7,27,21,2,5,22,26,6,9,28,8,15,11,18,10/E:(11,12)(13,14)/rA:29nCCCCCCCNCSNCCCNCCOCCCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;s21;s22;d23;s24;d25;d22s26;s26;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H30FN3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0343
Area:649.969
Solvation:-4.21494
Coulombic:-37.8761
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:415.568
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.6
LogP (Chemaxon):4.22

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Descriptor Annotations

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