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Chemical ID: 6179211

c1ccc(cc1)c2nnc(s2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O

Chemical ID:

6179211

Name [?]:

4-(2,5-dioxopyrrolidin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-benzamide

SMILES [?]:

c1ccc(cc1)c2nnc(s2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O

InChi [?]:

InChI=1/C19H14N4O3S/c24-15-10-11-16(25)23(15)14-8-6-12(7-9-14)17(26)20-19-22-21-18(27-19)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,22,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,16,20,17,19,24,25,15,4,18,22,26,13,7,10,12,8,9,21,23,27,14,11/E:(2,3)(4,5)(6,7)(8,9)(10,11)(15,16)(24,25)/rA:27nCCCCCCCNNCSNCOCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;s21s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₄N₄O₃S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	9.70545
Area:	593.703
Solvation:	-5.13712
Coulombic:	-48.8437

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	378.406
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.9
LogP (Chemaxon):	2.12

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