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Chemical ID: 5411531

CCCOc1ccc(cc1)NC(=O)CC2C(=O)N(C(=Nc3ccc(cc3)Cl)S2)CC=C

Chemical ID:

5411531

Name [?]:

2-[3-allyl-2-(4-chlorophenyl)imino-4-oxo-thiazolidin-5-yl]-N-(4-propoxyphenyl)-acetamide

SMILES [?]:

CCCOc1ccc(cc1)NC(=O)CC2C(=O)N(C(=Nc3ccc(cc3)Cl)S2)CC=C

InChi [?]:

InChI=1/C23H24ClN3O3S/c1-3-13-27-22(29)20(31-23(27)26-18-7-5-16(24)6-8-18)15-21(28)25-17-9-11-19(12-10-17)30-14-4-2/h3,5-12,20H,1,4,13-15H2,2H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:31,1,30,2,23,25,22,26,7,9,6,10,29,3,14,24,8,21,5,15,12,16,19,27,11,20,18,13,17,4,28/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCOCCCCCCNCOCCCONCNCCCCCCClSCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s15s19;s18;s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄ClN₃O₃S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.8024
Area:	692.873
Solvation:	-4.51941
Coulombic:	-51.7983

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	457.974
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.79
LogP (Chemaxon):	5.69

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