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Chemical ID: 5984446

Cc1ccc(cc1)c2nnc(s2)NC(=O)C3CCCN3C(=O)Nc4ccc(cc4)C

Chemical ID:

5984446

Name [?]:

N'-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide

SMILES [?]:

Cc1ccc(cc1)c2nnc(s2)NC(=O)C3CCCN3C(=O)Nc4ccc(cc4)C

InChi [?]:

InChI=1/C22H23N5O2S/c1-14-5-9-16(10-6-14)20-25-26-21(30-20)24-19(28)18-4-3-13-27(18)22(29)23-17-11-7-15(2)8-12-17/h5-12,18H,3-4,13H2,1-2H3,(H,23,29)(H,24,26,28)

InChi Info:

AuxInfo=1/1/N:1,30,18,17,3,7,26,28,4,6,25,29,19,2,27,5,24,16,14,8,11,21,23,13,9,10,20,15,22,12/E:(5,6)(7,8)(9,10)(11,12)/rA:30cCCCCCCCCNNCSNCOCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s18;s16s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃N₅O₂S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.8795
Area:	659.425
Solvation:	-4.60615
Coulombic:	-55.9455

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	421.517
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.47
LogP (Chemaxon):	4.35

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

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Chemical Mix	Source	External ID	Descriptor	Value