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Chemical ID: 6016924
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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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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