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Chemical ID: 6143815

CCOc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)OC)S2)c4ccc(cc4)OCC

Chemical ID:

6143815

Name [?]:

3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one

SMILES [?]:

CCOc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)OC)S2)c4ccc(cc4)OCC

InChi [?]:

InChI=1/C27H26N2O4S/c1-4-32-23-14-8-20(9-15-23)28-27-29(21-10-16-24(17-11-21)33-5-2)26(30)25(34-27)18-19-6-12-22(31-3)13-7-19/h6-18H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,34,24,2,33,18,22,6,8,27,31,19,21,5,9,28,30,16,17,7,26,20,4,29,15,13,11,10,12,14,23,3,32,25/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:34nCCOCCCCCCNCNCOCCCCCCCCOCSCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;s12;s26;d27;s28;d29;d26s30;s29;s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₂O₄S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2729
Area:	649.207
Solvation:	-5.95723
Coulombic:	-46.2699

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	474.572
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.39
LogP (Chemaxon):	6.21

Name Annotations

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

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