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Chemical ID: 5914304

c1ccc(cc1)CN(Cc2cccs2)C(=O)CN(CC3CC3)C(=O)c4cccc(c4)C(F)(F)F

Chemical ID:

5914304

Name [?]:

N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide

SMILES [?]:

c1ccc(cc1)CN(Cc2cccs2)C(=O)CN(CC3CC3)C(=O)c4cccc(c4)C(F)(F)F

InChi [?]:

InChI=1/C26H25F3N2O2S/c27-26(28,29)22-9-4-8-21(14-22)25(33)31(16-20-11-12-20)18-24(32)30(17-23-10-5-13-34-23)15-19-6-2-1-3-7-19/h1-10,13-14,20H,11-12,15-18H2

InChi Info:

AuxInfo=1/0/N:1,2,6,27,12,3,5,26,28,11,21,22,13,30,7,19,9,17,4,20,25,29,10,15,23,31,32,33,34,8,18,16,24,14/E:(2,3)(6,7)(11,12)(27,28,29)/rA:34nCCCCCCCNCCCCCSCOCNCCCCCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s20s21;s18;d23;s23;s25;d26;s27;d28;d25s29;s29;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅F₃N₂O₂S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.911
Area:	695.758
Solvation:	-4.48293
Coulombic:	-55.7456

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	486.55
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.03
LogP (Chemaxon):	4.92

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value