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Chemical ID: 6290498

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3)OC)OC

Chemical ID:

6290498

Name [?]:

3-(2-methoxy-5-methyl-phenyl)-1,1-bis[(4-methoxyphenyl)methyl]thiourea

SMILES [?]:

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3)OC)OC

InChi [?]:

InChI=1/C25H28N2O3S/c1-18-5-14-24(30-4)23(15-18)26-25(31)27(16-19-6-10-21(28-2)11-7-19)17-20-8-12-22(29-3)13-9-20/h5-15H,16-17H2,1-4H3,(H,26,31)

InChi Info:

AuxInfo=1/1/N:1,20,29,31,3,14,18,23,27,15,17,24,26,4,7,12,21,2,13,22,16,25,6,5,9,8,11,19,28,30,10/E:(2,3)(6,7,8,9)(10,11,12,13)(16,17)(19,20)(21,22)(28,29)/rA:31nCCCCCCCNCSNCCCCCCCOCCCCCCCCOCOC/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;s25;s28;s5;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₈N₂O₃S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.872
Area:	670.943
Solvation:	-5.90154
Coulombic:	-43.4689

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.568
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.86
LogP (Chemaxon):	5.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value