Chemical ID: 6014897

Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
6014897
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isobutyl-4-nitro-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C26H28FN3O5/c1-18(2)14-29(26(32)21-7-11-23(12-8-21)30(33)34)17-25(31)28(16-24-13-4-19(3)35-24)15-20-5-9-22(27)10-6-20/h4-13,18H,14-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,3,11,15,28,32,12,14,29,31,4,21,9,7,19,22,2,10,27,13,30,5,17,25,16,8,20,33,18,26,34,35,6/E:(1,2)(5,6)(7,8)(9,10)(11,12)(33,34)/CRV:30.5/rA:35nCCCCCOCNCCCCCCCFCOCNCCCCCOCCCCCCN+OO-/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;d28;s29;d30;d27s31;s30;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28FN3O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:6.99447
Area:718.44
Solvation:-10.9665
Coulombic:-56.4302
Bond Count [?]
All:37
Single:26
Double:11
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:481.516
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.24
LogP (Chemaxon):4.18

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Descriptor Annotations

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