Chemical ID: 6312936

Cc1ccc(cc1)NC(=S)N(CCCN2CCOCC2)Cc3cccc(c3)OC
Chemical ID:
6312936
Name [?]:
1-[(3-methoxyphenyl)methyl]-1-(3-morpholinopropyl)-3-(p-tolyl)thiourea
SMILES [?]:
Cc1ccc(cc1)NC(=S)N(CCCN2CCOCC2)Cc3cccc(c3)OC
InChi [?]:
InChI=1/C23H31N3O2S/c1-19-7-9-21(10-8-19)24-23(29)26(12-4-11-25-13-15-28-16-14-25)18-20-5-3-6-22(17-20)27-2/h3,5-10,17H,4,11-16,18H2,1-2H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,29,24,13,23,25,3,7,4,6,14,12,16,20,17,19,27,21,2,22,5,26,9,8,15,11,28,18,10/E:(7,8)(9,10)(13,14)(15,16)/rA:29nCCCCCCCNCSNCCCNCCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s11;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8335
Area:661.845
Solvation:-4.7126
Coulombic:-41.2045
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.577
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.13
LogP (Chemaxon):4.01

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Descriptor Annotations

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