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Chemical ID: 6316658

Cc1cc(ccc1NC(=S)N(CCN2CCOCC2)Cc3ccc(c(c3)OC)OC)Cl

Chemical ID:

6316658

Name [?]:

3-(4-chloro-2-methyl-phenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea

SMILES [?]:

Cc1cc(ccc1NC(=S)N(CCN2CCOCC2)Cc3ccc(c(c3)OC)OC)Cl

InChi [?]:

InChI=1/C23H30ClN3O3S/c1-17-14-19(24)5-6-20(17)25-23(31)27(9-8-26-10-12-30-13-11-26)16-18-4-7-21(28-2)22(15-18)29-3/h4-7,14-15H,8-13,16H2,1-3H3,(H,25,31)

InChi Info:

AuxInfo=1/1/N:1,30,28,22,5,6,23,13,12,15,19,16,18,3,26,20,2,21,4,7,24,25,9,31,8,14,11,29,27,17,10/E:(10,11)(12,13)/rA:31nCCCCCCCNCSNCCNCCOCCCCCCCCCOCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀ClN₃O₃S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4228
Area:	683.025
Solvation:	-6.65286
Coulombic:	-47.7626

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	464.021
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.83
LogP (Chemaxon):	3.57

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