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Chemical ID: 5327516

Cc1cc(ccc1c2ccc(cc2)C(=O)Nc3ccc(c(c3)N4CCN(CC4)C)OC)c5nc(on5)C

Chemical ID:

5327516

Name [?]:

N-[4-methoxy-3-(4-methylpiperazin-1-yl)-phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-phenyl]-benzamide

SMILES [?]:

Cc1cc(ccc1c2ccc(cc2)C(=O)Nc3ccc(c(c3)N4CCN(CC4)C)OC)c5nc(on5)C

InChi [?]:

InChI=1/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,37,29,31,9,13,10,12,5,18,6,19,25,27,24,28,3,22,2,34,8,11,4,17,7,21,20,32,14,33,16,36,26,23,15,30,35/E:(5,6)(7,8)(13,14)(15,16)/rA:37nCCCCCCCCCCCCCCONCCCCCCNCCNCCCOCCNCONC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;s23s27;s26;s20;s30;s4;s32;d33;s34;d32s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₁N₅O₃
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4996
Area:	764.216
Solvation:	-5.6058
Coulombic:	-51.7941

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	497.588
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.5
LogP (Chemaxon):	5.09

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