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Chemical ID: 4383466
Chemical ID:
4383466
Name [?]:
N-(4-methoxyphenyl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)OC)c3c4ccccc4c(=O)[nH]n3
InChi [?]:
InChI=1/C22H19N3O4S/c1-14-7-8-15(21-18-5-3-4-6-19(18)22(26)24-23-21)13-20(14)30(27,28)25-16-9-11-17(29-2)12-10-16/h3-13,25H,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,19,23,24,22,25,3,4,13,17,14,16,6,2,5,12,15,21,26,7,20,27,30,29,11,28,9,10,18,8/E:(9,10)(11,12)(27,28)/CRV:30.6/rA:30nCCCCCCCSOONCCCCCCOCCCCCCCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;s20;s21;d22;s23;d24;d21s25;s26;d27;s27;d20s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19N3O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7389 |
Area: | 600.312 |
Solvation: | -4.26894 |
Coulombic: | -41.2332 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.66 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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