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Chemical ID: 5398813
Chemical ID:
5398813
Name [?]:
N-(5-chloro-2-morpholino-phenyl)-2-(2-naphthylsulfonyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)S(=O)(=O)CC(=O)Nc3cc(ccc3N4CCOCC4)Cl
InChi [?]:
InChI=1/C22H21ClN2O4S/c23-18-6-8-21(25-9-11-29-12-10-25)20(14-18)24-22(26)15-30(27,28)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14H,9-12,15H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,21,7,22,25,29,26,28,5,19,14,9,4,20,6,18,23,15,30,17,24,16,12,13,27,11/E:(9,10)(11,12)(27,28)/CRV:30.6/rA:30nCCCCCCCCCCSOOCCONCCCCCCNCCOCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;d11;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;s27;s24s28;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21ClN2O4S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91064 |
Area: | 651.611 |
Solvation: | -6.37964 |
Coulombic: | -38.1407 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 444.932 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.36 |
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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