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Chemical ID: 5926945

c1ccc(cc1)c2nnc(s2)NC(=O)CCN(C3CCCCC3)C(=O)c4cccc(c4)C(F)(F)F

Chemical ID:

5926945

Name [?]:

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

SMILES [?]:

c1ccc(cc1)c2nnc(s2)NC(=O)CCN(C3CCCCC3)C(=O)c4cccc(c4)C(F)(F)F

InChi [?]:

InChI=1/C25H25F3N4O2S/c26-25(27,28)19-11-7-10-18(16-19)23(34)32(20-12-5-2-6-13-20)15-14-21(33)29-24-31-30-22(35-24)17-8-3-1-4-9-17/h1,3-4,7-11,16,20H,2,5-6,12-15H2,(H,29,31,33)

InChi Info:

AuxInfo=1/1/N:1,21,2,6,20,22,28,3,5,27,29,19,23,15,16,31,4,26,30,18,13,7,24,10,32,33,34,35,12,8,9,17,14,25,11/E:(3,4)(5,6)(8,9)(12,13)(26,27,28)/rA:35nCCCCCCCNNCSNCOCCNCCCCCCCOCCCCCCCFFF/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;d29;d26s30;s30;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅F₃N₄O₂S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6551
Area:	730.403
Solvation:	-4.60496
Coulombic:	-62.8075

Bond Count [?]

All:	38
Single:	28
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	502.553
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.4
LogP (Chemaxon):	5.14

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value