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Chemical ID: 7098028

CC(=O)NC(Cc1ccc(c(c1)OC)OC)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3

Chemical ID:

7098028

Name [?]:

4-[2-acetamido-3-(3,4-dimethoxyphenyl)-propanoyl]amino-N,N-bis[4-[2-acetamido-3-(3,4-dimethoxyphenyl)-propanoyl]amino-6-piperidyl]-piperidine-1-carboxamide

SMILES [?]:

CC(=O)NC(Cc1ccc(c(c1)OC)OC)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C25H32N4O5/c1-17(30)26-21(15-18-9-10-22(33-2)23(16-18)34-3)24(31)27-20-11-13-29(14-12-20)25(32)28-19-7-5-4-6-8-19/h4-10,16,20-21H,11-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,16,14,32,31,33,30,34,8,9,21,25,22,24,6,12,2,7,29,20,5,10,11,17,26,4,19,28,23,3,18,27,15,13/E:(5,6)(7,8)(11,12)(13,14)/rA:34cCCONCCCCCCCCOCOCCONCCCNCCCONCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s5;d17;s17;s19;s20;s21;s22;s23;s20s24;s23;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂N₄O₅
All Atoms:	66
Heavy Atoms:	34
Chiral Atoms:	1

ZAP Information [?]

Total:	9.36268
Area:	721.85
Solvation:	-8.68358
Coulombic:	-83.6714

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	468.546
H-Bond Donors:	3
H-Bond Acceptors:	9
XLogP:	1.81
LogP (Chemaxon):	1.27

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