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Chemical ID: 6014226
Chemical ID:
6014226
Name [?]:
4-fluoro-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(CCN3CCOCC3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C28H31F2N3O4/c1-21-2-11-26(37-21)19-33(18-22-3-7-24(29)8-4-22)27(34)20-32(13-12-31-14-16-36-17-15-31)28(35)23-5-9-25(30)10-6-23/h2-11H,12-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,11,15,32,36,12,14,33,35,4,22,21,24,28,25,27,9,7,19,2,10,31,13,34,5,17,29,16,37,23,20,8,18,30,26,6/E:(3,4)(5,6)(7,8)(9,10)(14,15)(16,17)/rA:37nCCCCCOCNCCCCCCCFCOCNCCNCCOCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s20;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H31F2N3O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.666 |
Area: | 745.47 |
Solvation: | -7.97078 |
Coulombic: | -61.1729 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 511.56 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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