Chemical ID: 6316713

Cc1cc(cc(c1)NC(=S)N(CCCN2CCOCC2)Cc3ccc(cc3OC)OC)C
Chemical ID:
6316713
Name [?]:
1-[(2,4-dimethoxyphenyl)methyl]-3-(3,5-dimethylphenyl)-1-(3-morpholinopropyl)thiourea
SMILES [?]:
Cc1cc(cc(c1)NC(=S)N(CCCN2CCOCC2)Cc3ccc(cc3OC)OC)C
InChi [?]:
InChI=1/C25H35N3O3S/c1-19-14-20(2)16-22(15-19)26-25(32)28(9-5-8-27-10-12-31-13-11-27)18-21-6-7-23(29-3)17-24(21)30-4/h6-7,14-17H,5,8-13,18H2,1-4H3,(H,26,32)
InChi Info:
AuxInfo=1/1/N:1,32,31,29,13,23,24,14,12,16,20,17,19,3,7,5,26,21,2,4,22,6,25,27,9,8,15,11,30,28,18,10/E:(1,2)(10,11)(12,13)(15,16)(19,20)/rA:32nCCCCCCCNCSNCCCNCCOCCCCCCCCCOCOCC/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;s27;s28;s25;s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H35N3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.3316
Area:710.765
Solvation:-5.4375
Coulombic:-47.7801
Bond Count [?]
All:34
Single:27
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:457.63
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.48
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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