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Chemical ID: 5803012

COc1cc(ccc1OCc2ccccc2F)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5

Chemical ID:

5803012

Name [?]:

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

SMILES [?]:

COc1cc(ccc1OCc2ccccc2F)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5

InChi [?]:

InChI=1/C30H23FN2O3S/c1-35-27-18-21(16-17-26(27)36-20-22-10-8-9-15-25(22)31)19-28-29(34)33(24-13-6-3-7-14-24)30(37-28)32-23-11-4-2-5-12-23/h2-19H,20H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,35,27,29,34,36,13,14,12,26,30,33,37,15,6,7,4,18,10,5,11,25,32,16,8,3,19,20,23,17,24,22,21,2,9,31/E:(4,5)(6,7)(11,12)(13,14)/rA:37nCOCCCCCCOCCCCCCCFCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s5;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:	C₃₀H₂₃FN₂O₃S
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6407
Area:	697.986
Solvation:	-5.80896
Coulombic:	-46.2538

Bond Count [?]

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

Chemical Properties

Molecular Weight:	510.58
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.23
LogP (Chemaxon):	7.69

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