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Chemical ID: 3954203

CC(=O)NC(Cc1cccc2c1cccc2)C(=O)N3CCN(CC3)C(=O)Nc4cccc(c4)OC

Chemical ID:

3954203

Name [?]:

4-[2-acetamido-3-(1-naphthyl)propanoyl]-N,N-bis[4-[2-acetamido-3-(1-naphthyl)propanoyl]piperazin-6-yl]-piperazine-1-carboxamide

SMILES [?]:

CC(=O)NC(Cc1cccc2c1cccc2)C(=O)N3CCN(CC3)C(=O)Nc4cccc(c4)OC

InChi [?]:

InChI=1/C27H30N4O4/c1-19(32)28-25(17-21-9-5-8-20-7-3-4-12-24(20)21)26(33)30-13-15-31(16-14-30)27(34)29-22-10-6-11-23(18-22)35-2/h3-12,18,25H,13-17H2,1-2H3,(H,28,32)(H,29,34)

InChi Info:

AuxInfo=1/1/N:1,35,15,14,9,30,16,10,8,29,31,13,20,24,21,23,6,33,2,11,7,28,32,12,5,17,25,4,27,19,22,3,18,26,34/E:(13,14)(15,16)/rA:35cCCONCCCCCCCCCCCCCONCCNCCCONCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s11d15;s5;d17;s17;s19;s20;s21;s22;s19s23;s22;d25;s25;s27;s28;d29;s30;d31;d28s32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₃₀N₄O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	10.7881
Area:	688.964
Solvation:	-6.436
Coulombic:	-73.4114

Bond Count [?]

All:	38
Single:	27
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	474.552
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.81
LogP (Chemaxon):	2.59

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