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Chemical ID: 5931816

CC(C)C(=O)N1C(CSC1c2ccc(c(c2)OC)OC)C(=O)NCCCN3CCOCC3

Chemical ID:

5931816

Name [?]:

2-(3,4-dimethoxyphenyl)-3-(2-methylpropanoyl)-N-(3-morpholinopropyl)thiazolidine-4-carboxamide

SMILES [?]:

CC(C)C(=O)N1C(CSC1c2ccc(c(c2)OC)OC)C(=O)NCCCN3CCOCC3

InChi [?]:

InChI=1/C23H35N3O5S/c1-16(2)22(28)26-18(21(27)24-8-5-9-25-10-12-31-13-11-25)15-32-23(26)17-6-7-19(29-3)20(14-17)30-4/h6-7,14,16,18,23H,5,8-13,15H2,1-4H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,3,20,18,25,12,13,24,26,28,32,29,31,16,8,2,11,7,14,15,21,4,10,23,27,6,22,5,19,17,30,9/E:(1,2)(10,11)(12,13)/rA:32cCCCCONCCSCCCCCCCOCOCCONCCCNCCOCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s6s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s7;d21;s21;s23;s24;s25;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₅N₃O₅S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	8.6611
Area:	703.302
Solvation:	-8.92144
Coulombic:	-64.0347

Bond Count [?]

All:	34
Single:	29
Double:	5
Rotors:	11
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	465.607
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	1.26
LogP (Chemaxon):	1.26

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