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Chemical ID: 7038284
Chemical ID:
7038284
Name [?]:
2-fluoro-N-[(2-fluorobenzoyl)amino-(3-methoxy-4-pentoxy-phenyl)-methyl]-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C27H28F2N2O4/c1-3-4-9-16-35-23-15-14-18(17-24(23)34-2)25(30-26(32)19-10-5-7-12-21(19)28)31-27(33)20-11-6-8-13-22(20)29/h5-8,10-15,17,25H,3-4,9,16H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,14,2,3,21,31,22,32,4,20,30,23,33,9,8,5,11,10,19,29,24,34,7,12,15,17,27,25,35,16,26,18,28,13,6/E:(5,6)(7,8)(10,11)(12,13)(19,20)(21,22)(26,27)(28,29)(30,31)(32,33)/gE:(1,2)/rA:35nCCCCCOCCCCCCOCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s15;s26;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28F2N2O4 |
All Atoms: | 63 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52171 |
Area: | 737.529 |
Solvation: | -9.91651 |
Coulombic: | -64.8474 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 482.519 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.4 |
LogP (Chemaxon): | 5.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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