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Chemical ID: 5802192

COc1cccc(c1OCc2ccccc2Cl)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5

Chemical ID:

5802192

Name [?]:

5-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one

SMILES [?]:

COc1cccc(c1OCc2ccccc2Cl)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5

InChi [?]:

InChI=1/C30H23ClN2O3S/c1-35-26-18-10-12-21(28(26)36-20-22-11-8-9-17-25(22)31)19-27-29(34)33(24-15-6-3-7-16-24)30(37-27)32-23-13-4-2-5-14-23/h2-19H,20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,35,27,29,34,36,13,14,5,12,6,26,30,33,37,15,4,18,10,7,11,25,32,16,3,19,8,20,23,17,24,22,21,2,9,31/E:(4,5)(6,7)(13,14)(15,16)/rA:37nCOCCCCCCOCCCCCCCClCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s7;w18;s19;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s19s23;s22;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₃ClN₂O₃S
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4467
Area:	713.883
Solvation:	-4.40041
Coulombic:	-44.2409

Bond Count [?]

All:	41
Single:	26
Double:	15
Rotors:	7
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	527.034
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.69
LogP (Chemaxon):	8.07

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