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Chemical ID: 5895420

COCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

Chemical ID:

5895420

Name [?]:

5-(4-chloro-3-nitro-benzoyl)amino-N-(3-methoxypropyl)-2-(1-piperidyl)benzamide

SMILES [?]:

COCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])Cl

InChi [?]:

InChI=1/C23H27ClN4O5/c1-33-13-5-10-25-23(30)18-15-17(7-9-20(18)27-11-3-2-4-12-27)26-22(29)16-6-8-19(24)21(14-16)28(31)32/h6-9,14-15H,2-5,10-13H2,1H3,(H,25,30)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,18,17,19,4,25,12,26,13,5,16,20,3,29,10,24,11,9,27,14,28,22,7,33,6,21,15,30,23,8,31,32,2/E:(3,4)(11,12)(31,32)/CRV:28.5/rA:33nCOCCCNCOCCCCCCNCCCCCNCOCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s15s19;s11;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;d30;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇ClN₄O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	6.46945
Area:	727.143
Solvation:	-11.7091
Coulombic:	-65.0424

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	474.937
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	4.03
LogP (Chemaxon):	3.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value