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Chemical ID: 7413829
Chemical ID:
7413829
Name [?]:
N-(2-morpholinophenyl)-2-(1-naphthylsulfanyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2SCC(=O)Nc3ccccc3N4CCOCC4
InChi [?]:
InChI=1/C22H22N2O2S/c25-22(16-27-21-11-5-7-17-6-1-2-8-18(17)21)23-19-9-3-4-10-20(19)24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,8,6,7,3,17,20,9,23,27,24,26,12,5,4,16,21,10,13,15,22,14,25,11/E:(12,13)(14,15)/rA:27nCCCCCCCCCCSCCONCCCCCCNCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;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: | 49 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4828 |
Area: | 592.909 |
Solvation: | -4.33996 |
Coulombic: | -37.7432 |
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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