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Chemical ID: 6720532
Chemical ID:
6720532
Name [?]:
N-(4-acetamidophenyl)-3-phenylsulfanyl-propanamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CCSc2ccccc2
InChi [?]:
InChI=1/C17H18N2O2S/c1-13(20)18-14-7-9-15(10-8-14)19-17(21)11-12-22-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,6,10,7,9,14,15,2,5,8,17,12,4,11,3,13,16/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCONCCCCCCNCOCCSCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96494 |
Area: | 541.378 |
Solvation: | -3.56951 |
Coulombic: | -40.492 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.403 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.43 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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