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Chemical ID: 6219209

c1ccc(cc1)Oc2ccc(cc2)c3csc(n3)NC(=O)CN4C(=O)CCC4=O

Chemical ID:

6219209

Name [?]:

2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-phenoxyphenyl)thiazol-2-yl]-acetamide

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)c3csc(n3)NC(=O)CN4C(=O)CCC4=O

InChi [?]:

InChI=1/C21H17N3O4S/c25-18(12-24-19(26)10-11-20(24)27)23-21-22-17(13-29-21)14-6-8-16(9-7-14)28-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H,22,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,10,12,9,13,26,27,22,15,11,4,8,14,20,24,28,17,18,19,23,21,25,29,7,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(19,20)(26,27)/rA:29nCCCCCCOCCCCCCCCSCNNCOCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s15;s16;s14d17;s17;s19;d20;s20;s22;s23;d24;s24;s26;s23s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇N₃O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.75053
Area:	624.518
Solvation:	-5.86242
Coulombic:	-56.6962

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	407.444
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.23
LogP (Chemaxon):	3.03

Name Annotations

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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