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Chemical ID: 6163648

Cc1cc2c(cc1C=C3C(=O)N(C(=Nc4ccccc4)S3)C5CCCCC5)OCO2

Chemical ID:

6163648

Name [?]:

3-cyclohexyl-5-[(6-methylbenzo[1,3]dioxol-5-yl)methylene]-2-phenylimino-thiazolidin-4-one

SMILES [?]:

Cc1cc2c(cc1C=C3C(=O)N(C(=Nc4ccccc4)S3)C5CCCCC5)OCO2

InChi [?]:

InChI=1/C24H24N2O3S/c1-16-12-20-21(29-15-28-20)13-17(16)14-22-23(27)26(19-10-6-3-7-11-19)24(30-22)25-18-8-4-2-5-9-18/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,18,25,17,19,24,26,16,20,23,27,3,6,8,29,2,7,15,22,4,5,9,10,13,14,12,11,30,28,21/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCCCCCONCNCCCCCCSCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s9s13;s12;s22;s23;s24;s25;s22s26;s5;s28;s4s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3052
Area:	582.436
Solvation:	-3.25567
Coulombic:	-42.7467

Bond Count [?]

All:	34
Single:	25
Double:	9
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	420.525
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.26
LogP (Chemaxon):	6.33

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