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Chemical ID: 5892426

CC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCN(CC3)c4ccccc4OC

Chemical ID:

5892426

Name [?]:

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(c(c1)C(=O)N2CCCC2)N3CCN(CC3)c4ccccc4OC

InChi [?]:

InChI=1/C24H30N4O3/c1-18(29)25-19-9-10-21(20(17-19)24(30)28-11-5-6-12-28)26-13-15-27(16-14-26)22-7-3-4-8-23(22)31-2/h3-4,7-10,17H,5-6,11-16H2,1-2H3,(H,25,29)

InChi Info:

AuxInfo=1/1/N:1,31,26,27,15,16,25,28,6,7,14,17,19,23,20,22,10,2,5,9,8,24,29,11,4,18,21,13,3,12,30/E:(5,6)(11,12)(13,14)(15,16)/rA:31nCCONCCCCCCCONCCCCNCCNCCCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;s15;s13s16;s8;s18;s19;s20;s21;s18s22;s21;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₀N₄O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.92454
Area:	652.119
Solvation:	-6.37844
Coulombic:	-55.2059

Bond Count [?]

All:	34
Single:	26
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	422.52
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.26
LogP (Chemaxon):	2.81

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