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Chemical ID: 6016924

Cc1ccc(cc1[N+](=O)[O-])C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C(C)C

Chemical ID:

6016924

Name [?]:

N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isopropyl-4-methyl-3-nitro-benzamide

SMILES [?]:

Cc1ccc(cc1[N+](=O)[O-])C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C(C)C

InChi [?]:

InChI=1/C25H26FN3O5/c1-17(2)28(25(31)20-9-6-18(3)23(13-20)29(32)33)16-24(30)27(15-22-5-4-12-34-22)14-19-7-10-21(26)11-8-19/h4-13,17H,14-16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:33,34,1,29,28,3,20,24,4,21,23,30,6,18,26,14,32,2,19,5,22,27,7,15,11,25,17,13,8,16,12,9,10,31/E:(1,2)(7,8)(10,11)(32,33)/CRV:29.5/rA:34nCCCCCCCN+OO-CONCCONCCCCCCCFCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;d27;s28;d29;s27s30;s13;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆FN₃O₅
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	5.82511
Area:	632.79
Solvation:	-9.99465
Coulombic:	-56.8277

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	467.49
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	4.04
LogP (Chemaxon):	4.18

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