Chemical ID: 6317484

Cc1ccc(c(c1)NC(=S)N(CCN2CCOCC2)Cc3ccc(cc3)OC)C
Chemical ID:
6317484
Name [?]:
3-(2,5-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)N(CCN2CCOCC2)Cc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C23H31N3O2S/c1-18-4-5-19(2)22(16-18)24-23(29)26(11-10-25-12-14-28-15-13-25)17-20-6-8-21(27-3)9-7-20/h4-9,16H,10-15,17H2,1-3H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,29,28,3,4,22,26,23,25,13,12,15,19,16,18,7,20,2,5,21,24,6,9,8,14,11,27,17,10/E:(6,7)(8,9)(12,13)(14,15)/rA:29nCCCCCCCNCSNCCNCCOCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;s20;s21;d22;s23;d24;d21s25;s24;s27;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5274
Area:646.186
Solvation:-4.6273
Coulombic:-41.2651
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.577
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.77

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Descriptor Annotations

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