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Chemical ID: 6002272
Chemical ID:
6002272
Name [?]:
N-hexyl-N-(isoxazol-3-ylcarbamoylmethyl)naphthalene-2-carboxamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1ccon1)C(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C22H25N3O3/c1-2-3-4-7-13-25(16-21(26)23-20-12-14-28-24-20)22(27)19-11-10-17-8-5-6-9-18(17)15-19/h5-6,8-12,14-15H,2-4,7,13,16H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,24,25,5,23,26,21,20,13,6,14,28,8,22,27,19,12,9,17,11,16,7,10,18,15/rA:28nCCCCCCNCCONCCCONCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d12s15;s7;d17;s17;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4529 |
Area: | 624.068 |
Solvation: | -4.14883 |
Coulombic: | -43.6615 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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