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Chemical ID: 7268561
Chemical ID:
7268561
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-naphthalene-2-sulfonamide
SMILES [?]:
CCOc1ccc(cc1OC)CN(C)S(=O)(=O)c2ccc3ccccc3c2
InChi [?]:
InChI=1/C21H23NO4S/c1-4-26-20-12-9-16(13-21(20)25-3)15-22(2)27(23,24)19-11-10-17-7-5-6-8-18(17)14-19/h5-14H,4,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,11,2,23,24,22,25,6,20,19,5,8,27,12,7,21,26,18,4,9,13,16,17,10,3,15/E:(23,24)/CRV:27.6/rA:27cCCOCCCCCCOCCNCSOOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s13;d15;d15;s15;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23NO4S |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.12085 |
Area: | 589.632 |
Solvation: | -5.61994 |
Coulombic: | -23.5183 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.478 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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