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Chemical ID: 6555692
Chemical ID:
6555692
Name [?]:
N-(2-morpholinophenyl)-2-(2-naphthylsulfanyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)SCC(=O)Nc3ccccc3N4CCOCC4
InChi [?]:
InChI=1/C22H22N2O2S/c25-22(16-27-19-10-9-17-5-1-2-6-18(17)15-19)23-20-7-3-4-8-21(20)24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,10,3,17,20,8,7,23,27,24,26,5,12,9,4,6,16,21,13,15,22,14,25,11/E:(11,12)(13,14)/rA:27nCCCCCCCCCCSCCONCCCCCCNCCOCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5148 |
Area: | 597.706 |
Solvation: | -4.42781 |
Coulombic: | -37.5321 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.488 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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