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Chemical ID: 5658723

Cc1ccc(cc1)C=C2C(=O)N(C(=O)S2)CCNC(=O)c3cccc(c3)S(=O)(=O)N4CCCC4

Chemical ID:

5658723

Name [?]:

N-[2-[2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C=C2C(=O)N(C(=O)S2)CCNC(=O)c3cccc(c3)S(=O)(=O)N4CCCC4

InChi [?]:

InChI=1/C24H25N3O5S2/c1-17-7-9-18(10-8-17)15-21-23(29)27(24(30)33-21)14-11-25-22(28)19-5-4-6-20(16-19)34(31,32)26-12-2-3-13-26/h4-10,15-16H,2-3,11-14H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,32,33,23,22,24,3,7,4,6,17,31,34,16,8,26,2,5,21,25,9,19,10,13,18,30,12,20,11,14,28,29,15,27/E:(2,3)(7,8)(9,10)(12,13)(31,32)/CRV:34.6/rA:34nCCCCCCCCCCONCOSCCNCOCCCCCCSOONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;d27;d27;s27;s30;s31;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₅S₂
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7277
Area:	740.327
Solvation:	-4.78053
Coulombic:	-57.3821

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	499.605
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	2.82
LogP (Chemaxon):	2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value