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Chemical ID: 6316517

Cc1ccc(c(c1)OC)NC(=S)N(CCCN2CCOCC2)Cc3cccc(c3)Cl

Chemical ID:

6316517

Name [?]:

1-[(3-chlorophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(3-morpholinopropyl)thiourea

SMILES [?]:

Cc1ccc(c(c1)OC)NC(=S)N(CCCN2CCOCC2)Cc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H30ClN3O2S/c1-18-7-8-21(22(15-18)28-2)25-23(30)27(17-19-5-3-6-20(24)16-19)10-4-9-26-11-13-29-14-12-26/h3,5-8,15-16H,4,9-14,17H2,1-2H3,(H,25,30)

InChi Info:

AuxInfo=1/1/N:1,9,26,15,25,27,3,4,16,14,18,22,19,21,7,29,23,2,24,28,5,6,11,30,10,17,13,8,20,12/E:(11,12)(13,14)/rA:30nCCCCCCCOCNCSNCCCNCCOCCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;d11;s11;s13;s14;s15;s16;s17;s18;s19;s20;s17s21;s13;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀ClN₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6917
Area:	692.902
Solvation:	-4.63086
Coulombic:	-42.1206

Bond Count [?]

All:	32
Single:	25
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	448.022
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.75
LogP (Chemaxon):	4.53

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value