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Chemical ID: 5926944

c1ccc(cc1)c2nnc(s2)NC(=O)CCN(C3CCCCC3)C(=O)c4ccc5ccccc5c4

Chemical ID:

5926944

Name [?]:

N-cyclohexyl-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl]naphthalene-2-carboxamide

SMILES [?]:

c1ccc(cc1)c2nnc(s2)NC(=O)CCN(C3CCCCC3)C(=O)c4ccc5ccccc5c4

InChi [?]:

InChI=1/C28H28N4O2S/c33-25(29-28-31-30-26(35-28)21-10-3-1-4-11-21)17-18-32(24-13-5-2-6-14-24)27(34)23-16-15-20-9-7-8-12-22(20)19-23/h1,3-4,7-12,15-16,19,24H,2,5-6,13-14,17-18H2,(H,29,31,33)

InChi Info:

AuxInfo=1/1/N:1,21,2,6,20,22,31,32,30,3,5,33,19,23,28,27,15,16,35,29,4,34,26,18,13,7,24,10,12,8,9,17,14,25,11/E:(3,4)(5,6)(10,11)(13,14)/rA:35nCCCCCCCNNCSNCOCCNCCCCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s17;d24;s24;s26;d27;s28;s29;d30;s31;d32;d29s33;d26s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₄O₂S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	14.6561
Area:	744.852
Solvation:	-3.96526
Coulombic:	-45.6341

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	484.614
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.75
LogP (Chemaxon):	5.26

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