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Chemical ID: 5892803

Cc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)NCCOC)N3CCN(CC3)c4ccccc4OC

Chemical ID:

5892803

Name [?]:

N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylbenzoyl)amino-benzamide

SMILES [?]:

Cc1ccccc1C(=O)Nc2ccc(c(c2)C(=O)NCCOC)N3CCN(CC3)c4ccccc4OC

InChi [?]:

InChI=1/C29H34N4O4/c1-21-8-4-5-9-23(21)29(35)31-22-12-13-25(24(20-22)28(34)30-14-19-36-2)32-15-17-33(18-16-32)26-10-6-7-11-27(26)37-3/h4-13,20H,14-19H2,1-3H3,(H,30,34)(H,31,35)

InChi Info:

AuxInfo=1/1/N:1,23,37,4,5,32,33,3,6,31,34,12,13,20,25,29,26,28,21,16,2,11,7,15,14,30,35,17,8,19,10,24,27,18,9,22,36/E:(15,16)(17,18)/rA:37nCCCCCCCCONCCCCCCCONCCOCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s14;s24;s25;s26;s27;s24s28;s27;s30;d31;s32;d33;d30s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₄N₄O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5164
Area:	770.971
Solvation:	-7.75788
Coulombic:	-70.6474

Bond Count [?]

All:	40
Single:	29
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	502.605
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	4.58
LogP (Chemaxon):	4.27

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