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Chemical ID: 5067159
Chemical ID:
5067159
Name [?]:
4-(benzyl-methylsulfonyl-amino)-N-[(4-methoxyphenyl)methyl]benzamide
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2ccc(cc2)N(Cc3ccccc3)S(=O)(=O)C
InChi [?]:
InChI=1/C23H24N2O4S/c1-29-22-14-8-18(9-15-22)16-24-23(26)20-10-12-21(13-11-20)25(30(2,27)28)17-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,30,24,23,25,22,26,5,7,14,18,15,17,4,8,9,20,6,21,13,16,3,11,10,19,12,28,29,2,27/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/CRV:30.6/rA:30cCOCCCCCCCNCOCCCCCCNCCCCCCCSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s19;d27;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8072 |
Area: | 651.062 |
Solvation: | -5.4693 |
Coulombic: | -36.2412 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.514 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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