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Chemical ID: 5522294

Chemical ID:

5522294

Name [?]:

3-acetyl-2-(2-hydroxyphenyl)-N-(2-methoxyethyl)thiazolidine-4-carboxamide

SMILES [?]:

CC(=O)N1C(CSC1c2ccccc2O)C(=O)NCCOC

InChi [?]:

InChI=1/C15H20N2O4S/c1-10(18)17-12(14(20)16-7-8-21-2)9-22-15(17)11-5-3-4-6-13(11)19/h3-6,12,15,19H,7-9H2,1-2H3,(H,16,20)

InChi Info:

AuxInfo=1/1/N:1,22,11,12,10,13,19,20,6,2,9,5,14,16,8,18,4,3,15,17,21,7/rA:22cCCONCCSCCCCCCCOCONCCOC/rB:s1;d2;s2;s4;s5;s6;s4s7;s8;s9;d10;s11;d12;d9s13;s14;s5;d16;s16;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₀N₂O₄S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	6.8237
Area:	510.22
Solvation:	-5.9318
Coulombic:	-60.6357

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	324.396
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.75
LogP (Chemaxon):	0.43

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value