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Chemical ID: 6290510

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3cccc(c3)F)OC

Chemical ID:

6290510

Name [?]:

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

SMILES [?]:

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3cccc(c3)F)OC

InChi [?]:

InChI=1/C24H25FN2O2S/c1-17-7-12-23(29-3)22(13-17)26-24(30)27(16-19-5-4-6-20(25)14-19)15-18-8-10-21(28-2)11-9-18/h4-14H,15-16H2,1-3H3,(H,26,30)

InChi Info:

AuxInfo=1/1/N:1,20,30,24,23,25,3,14,18,15,17,4,7,27,12,21,2,13,22,26,16,6,5,9,28,8,11,19,29,10/E:(8,9)(10,11)/rA:30nCCCCCCCNCSNCCCCCCCOCCCCCCCCFOC/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;s26;s5;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅FN₂O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7557
Area:	640.529
Solvation:	-5.25758
Coulombic:	-40.3988

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	424.532
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.1
LogP (Chemaxon):	5.98

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

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

Chemical Mix	Source	External ID	Descriptor	Value