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Chemical ID: 5529065

CCCCOc1ccc(cc1OC)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C

Chemical ID:

5529065

Name [?]:

5-[(4-butoxy-3-methoxy-phenyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one

SMILES [?]:

CCCCOc1ccc(cc1OC)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C

InChi [?]:

InChI=1/C29H30N2O3S/c1-5-6-17-34-25-16-11-22(18-26(25)33-4)19-27-28(32)31(24-14-9-21(3)10-15-24)29(35-27)30-23-12-7-20(2)8-13-23/h7-16,18-19H,5-6,17H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,27,35,13,2,3,23,25,31,33,8,22,26,30,34,7,4,10,14,24,32,9,21,29,6,11,15,16,19,20,18,17,12,5,28/E:(7,8)(9,10)(12,13)(14,15)/rA:35nCCCCOCCCCCCOCCCCONCNCCCCCCCSCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;w14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s15s19;s18;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀N₂O₃S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9344
Area:	693.707
Solvation:	-5.40822
Coulombic:	-40.6219

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.626
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.59
LogP (Chemaxon):	7.92

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

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

Chemical Mix	Source	External ID	Descriptor	Value