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Chemical ID: 5974420

Cc1cc2c(o1)cc(n2Cc3ccc(c(c3)F)F)C(=O)NCCCN4CCCCC4C

Chemical ID:

5974420

Name [?]:

2-[(3,4-difluorophenyl)methyl]-7-methyl-N-[3-(2-methyl-1-piperidyl)propyl]-6-oxa-2-azabicyclo[3.3.0]octa-3,7,9-triene-3-carboxamide

SMILES [?]:

Cc1cc2c(o1)cc(n2Cc3ccc(c(c3)F)F)C(=O)NCCCN4CCCCC4C

InChi [?]:

InChI=1/C24H29F2N3O2/c1-16-6-3-4-10-28(16)11-5-9-27-24(30)22-14-23-21(12-17(2)31-23)29(22)15-18-7-8-19(25)20(26)13-18/h7-8,12-14,16H,3-6,9-11,15H2,1-2H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:31,1,28,27,23,29,12,13,22,26,24,3,16,7,10,30,2,11,14,15,4,8,5,19,18,17,21,25,9,20,6/rA:31cCCCCCOCCNCCCCCCCFFCONCCCNCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;d7;s4s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s8;d19;s19;s21;s22;s23;s24;s25;s26;s27;s28;s25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₉F₂N₃O₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	10.8612
Area:	636.239
Solvation:	-5.04477
Coulombic:	-48.4752

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	429.503
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.72
LogP (Chemaxon):	4.17

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