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Chemical ID: 5976949

CN(C)c1ccc(cc1C(=O)NCCCN2CCOCC2)NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F

Chemical ID:

5976949

Name [?]:

5-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-dimethylamino-N-(3-morpholinopropyl)benzamide

SMILES [?]:

CN(C)c1ccc(cc1C(=O)NCCCN2CCOCC2)NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F

InChi [?]:

InChI=1/C25H29F6N5O3/c1-35(2)21-5-4-18(15-20(21)22(37)32-6-3-7-36-8-10-39-11-9-36)33-23(38)34-19-13-16(24(26,27)28)12-17(14-19)25(29,30)31/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,37)(H2,33,34,38)

InChi Info:

AuxInfo=1/1/N:1,3,14,6,5,13,15,17,21,18,20,29,27,31,8,28,30,7,26,9,4,10,23,36,32,37,38,39,33,34,35,12,22,25,2,16,11,24,19/E:(1,2)(8,9)(10,11)(13,14)(16,17)(24,25)(26,27,28,29,30,31)/rA:39nCNCCCCCCCCONCCCNCCOCCNCONCCCCCCCFFFCFFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s7;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s30;s32;s32;s32;s28;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉F₆N₅O₃
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7374
Area:	777.328
Solvation:	-7.69575
Coulombic:	-108.872

Bond Count [?]

All:	41
Single:	33
Double:	8
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	561.52
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	3.76
LogP (Chemaxon):	4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value