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Chemical ID: 6005246
Chemical ID:
6005246
Name [?]:
N-(2-diethylaminoethyl)-3-fluoro-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC)CCN(CC(=O)Nc1cc(on1)C)C(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C19H25FN4O3/c1-4-23(5-2)9-10-24(19(26)15-7-6-8-16(20)12-15)13-18(25)21-17-11-14(3)27-22-17/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,5,18,2,4,23,22,24,6,7,14,26,9,15,21,25,13,10,19,27,12,17,3,8,11,20,16/E:(1,2)(4,5)/rA:27nCCNCCCCNCCONCCCONCCOCCCCCCF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d13s16;s15;s8;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25FN4O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45367 |
Area: | 591.785 |
Solvation: | -5.34096 |
Coulombic: | -49.4958 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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