Chemical ID: 6731421

CC(C)NC(=O)c1ccc2c(c1)N(C(=O)CS2)Cc3ccccc3
Chemical ID:
6731421
Name [?]:
5-benzyl-N-isopropyl-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
CC(C)NC(=O)c1ccc2c(c1)N(C(=O)CS2)Cc3ccccc3
InChi [?]:
InChI=1/C19H20N2O2S/c1-13(2)20-19(23)15-8-9-17-16(10-15)21(18(22)12-24-17)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,22,21,23,20,24,8,9,12,18,16,2,19,7,11,10,14,5,4,13,15,6,17/E:(1,2)(4,5)(6,7)/rA:24nCCCNCOCCCCCCNCOCSCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s10s16;s13;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O2S
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.6112
Area:537.862
Solvation:-2.83532
Coulombic:-39.8219
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.44
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.35
LogP (Chemaxon):2.61

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