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Chemical ID: 6009901
Chemical ID:
6009901
Name [?]:
4-ethyl-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)Nc3cc(on3)C
InChi [?]:
InChI=1/C20H25N3O4/c1-3-15-6-8-16(9-7-15)20(25)23(12-17-5-4-10-26-17)13-19(24)21-18-11-14(2)27-22-18/h6-9,11,17H,3-5,10,12-13H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,2,15,14,4,8,5,7,16,23,12,18,24,3,6,13,22,19,9,21,26,11,20,10,17,25/E:(6,7)(8,9)/rA:27cCCCCCCCCCONCCCCCOCCONCCCONC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s13s16;s11;s18;d19;s19;s21;s22;d23;s24;d22s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.336 |
Area: | 597.882 |
Solvation: | -4.61104 |
Coulombic: | -50.329 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 371.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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