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Chemical ID: 6508079
Chemical ID:
6508079
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-phenyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccccc1)Sc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H14ClNOS/c1-11(19-14-9-7-12(16)8-10-14)15(18)17-13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,11,15,17,14,18,2,16,6,13,3,19,5,4,12/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCONCCCCCCSCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNOS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.58334 |
Area: | 480.688 |
Solvation: | -2.43386 |
Coulombic: | -23.4379 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 291.797 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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