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Chemical ID: 4109367

COc1cc(ccc1OCc2ccccc2)C=NNc3nc(cs3)c4ccccc4

Chemical ID:

4109367

Name [?]:

N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-4-phenyl-thiazol-2-amine

SMILES [?]:

COc1cc(ccc1OCc2ccccc2)C=NNc3nc(cs3)c4ccccc4

InChi [?]:

InChI=1/C24H21N3O2S/c1-28-23-14-19(12-13-22(23)29-16-18-8-4-2-5-9-18)15-25-27-24-26-21(17-30-24)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,14,28,13,15,27,29,12,16,26,30,6,7,4,17,10,23,11,5,25,22,8,3,20,18,21,19,2,9,24/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCOCCCCCCOCCCCCCCCNNCNCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;w17;s18;s19;d20;s21;d22;s20s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9168
Area:	673.507
Solvation:	-5.92088
Coulombic:	-33.6786

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	415.509
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.45
LogP (Chemaxon):	6.42

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