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Chemical ID: 6914389
Chemical ID:
6914389
Name [?]:
2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanehydroxamic acid
SMILES [?]:
CC(C)C(C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,27,13,12,22,24,21,25,14,16,10,2,11,23,20,4,5,15,7,9,6,8,18,19,26,17/E:(1,2)(6,7)(8,9)(24,25)/CRV:27.6/rA:27cCCCCCONONCCCCCNCSOOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s7;s4;s9;s10;s11;d12;s13;d14;d11s15;s9;d17;d17;s17;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O5S |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.42011 |
Area: | 548.796 |
Solvation: | -7.2998 |
Coulombic: | -46.6584 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 393.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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