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Chemical ID: 5984191

c1ccc2cc(ccc2c1)C(=O)N3CCCC3C(=O)Nc4nnc(s4)c5cccc(c5)Cl

Chemical ID:

5984191

Name [?]:

N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-naphthylcarbonyl)pyrrolidine-2-carboxamide

SMILES [?]:

c1ccc2cc(ccc2c1)C(=O)N3CCCC3C(=O)Nc4nnc(s4)c5cccc(c5)Cl

InChi [?]:

InChI=1/C24H19ClN4O2S/c25-19-8-3-7-17(14-19)22-27-28-24(32-22)26-21(30)20-9-4-12-29(20)23(31)18-11-10-15-5-1-2-6-16(15)13-18/h1-3,5-8,10-11,13-14,20H,4,9,12H2,(H,26,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,28,15,10,3,27,29,16,8,7,14,5,31,9,4,26,6,30,17,18,24,11,21,32,20,23,22,13,19,12,25/rA:32cCCCCCCCCCCCONCCCCCONCNNCSCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;s15;s13s16;s17;d18;s18;s20;d21;s22;d23;s21s24;s24;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClN₄O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2759
Area:	681.965
Solvation:	-4.77322
Coulombic:	-44.6869

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	462.952
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.99
LogP (Chemaxon):	4.53

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

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Chemical Mix	Source	External ID	Descriptor	Value