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Chemical ID: 6924623
Chemical ID:
6924623
Name [?]:
N-benzyl-2-ethylsulfanyl-N-isopropyl-benzamide
SMILES [?]:
CCSc1ccccc1C(=O)N(Cc2ccccc2)C(C)C
InChi [?]:
InChI=1/C19H23NOS/c1-4-22-18-13-9-8-12-17(18)19(21)20(15(2)3)14-16-10-6-5-7-11-16/h5-13,15H,4,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,2,17,16,18,7,6,15,19,8,5,13,20,14,9,4,10,12,11,3/E:(2,3)(6,7)(10,11)/rA:22nCCSCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23NOS |
All Atoms: | 45 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3141 |
Area: | 496.019 |
Solvation: | -2.08641 |
Coulombic: | -21.6255 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.458 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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