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Chemical ID: 5931770

CC(C)C(=O)N1C(CSC1c2ccccc2Cl)C(=O)NCCc3ccc(c(c3)OC)OC

Chemical ID:

5931770

Name [?]:

2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropanoyl)thiazolidine-4-carboxamide

SMILES [?]:

CC(C)C(=O)N1C(CSC1c2ccccc2Cl)C(=O)NCCc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H29ClN2O4S/c1-15(2)23(29)27-19(14-32-24(27)17-7-5-6-8-18(17)25)22(28)26-12-11-16-9-10-20(30-3)21(13-16)31-4/h5-10,13,15,19,24H,11-12,14H2,1-4H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,3,32,30,13,14,12,15,24,25,22,21,28,8,2,23,11,16,7,26,27,18,4,10,17,20,6,19,5,31,29,9/E:(1,2)/rA:32cCCCCONCCSCCCCCCCClCONCCCCCCCCOCOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s6s9;s10;s11;d12;s13;d14;d11s15;s16;s7;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉ClN₂O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	10.3372
Area:	700.692
Solvation:	-7.18009
Coulombic:	-53.809

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	477.017
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.94
LogP (Chemaxon):	4.11

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