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Chemical ID: 3944696
Chemical ID:
3944696
Name [?]:
N,N-bis[(4-fluorophenyl)methyl]-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)cc(c(=O)o2)C(=O)N(Cc3ccc(cc3)F)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H17F2NO3/c25-19-9-5-16(6-10-19)14-27(15-17-7-11-20(26)12-8-17)23(28)21-13-18-3-1-2-4-22(18)30-24(21)29/h1-13H,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,25,29,18,20,26,28,7,15,23,16,24,5,19,27,8,4,12,9,22,30,14,13,10,11/E:(5,6,7,8)(9,10,11,12)(14,15)(16,17)(19,20)(25,26)/rA:30nCCCCCCCCCOOCONCCCCCCCFCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17F2NO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81529 |
Area: | 578.272 |
Solvation: | -5.64151 |
Coulombic: | -45.1107 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 405.394 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.98 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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