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Chemical ID: 6463351

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(c4c3cccc4)OC)S2)c5ccc(cc5)CC

Chemical ID:

6463351

Name [?]:

3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-methoxy-1-naphthyl)methylene]thiazolidin-4-one

SMILES [?]:

CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(c4c3cccc4)OC)S2)c5ccc(cc5)CC

InChi [?]:

InChI=1/C31H28N2O2S/c1-4-21-10-15-24(16-11-21)32-31-33(25-17-12-22(5-2)13-18-25)30(34)29(36-31)20-23-14-19-28(35-3)27-9-7-6-8-26(23)27/h6-20H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,36,27,2,35,23,24,22,25,4,8,31,33,17,5,7,30,34,18,15,3,32,16,6,29,21,20,19,14,12,10,9,11,13,26,28/E:(10,11)(12,13)(15,16)(17,18)/rA:36nCCCCCCCCNCNCOCCCCCCCCCCCCOCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s19;s26;s10s14;s11;s29;d30;s31;d32;d29s33;s32;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₈N₂O₂S
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6104
Area:	682.054
Solvation:	-3.44097
Coulombic:	-35.3053

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	6
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	492.632
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	7.78
LogP (Chemaxon):	8.76

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