Chemical ID: 6924623

CCSc1ccccc1C(=O)N(Cc2ccccc2)C(C)C
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

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Descriptor Annotations

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