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Chemical ID: 7527457

CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)c3ccc(cc3Cl)[N+](=O)[O-]

Chemical ID:

7527457

Name [?]:

2-chloro-N-isopropyl-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

SMILES [?]:

CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)c3ccc(cc3Cl)[N+](=O)[O-]

InChi [?]:

InChI=1/C19H17ClN4O4/c1-12(2)23(19(25)15-9-8-14(24(26)27)10-16(15)20)11-17-21-18(22-28-17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,3,14,13,15,12,16,21,20,23,5,2,11,22,19,24,6,8,17,25,7,9,4,26,18,27,28,10/E:(1,2)(4,5)(6,7)(26,27)/CRV:24.5/rA:28nCCCNCCNCNOCCCCCCCOCCCCCCClN+OO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₇ClN₄O₄
All Atoms:	45
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	6.08216
Area:	574.889
Solvation:	-8.29007
Coulombic:	-41.3238

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.69
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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