Chemical ID: 6148453

CC(C)N1C(=O)C2C(N(OC2C1=O)c3ccccc3)c4cccs4
Chemical ID:
6148453
Name [?]:
7-isopropyl-3-phenyl-2-(2-thienyl)-4-oxa-3,7-diazabicyclo[3.3.0]octane-6,8-dione
SMILES [?]:
CC(C)N1C(=O)C2C(N(OC2C1=O)c3ccccc3)c4cccs4
InChi [?]:
InChI=1/C18H18N2O3S/c1-11(2)19-17(21)14-15(13-9-6-10-24-13)20(23-16(14)18(19)22)12-7-4-3-5-8-12/h3-11,14-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,18,22,15,19,21,23,2,14,20,7,8,11,5,12,4,9,6,13,10,24/E:(1,2)(4,5)(7,8)/rA:24cCCCNCOCCNOCCOCCCCCCCCCCS/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s7s10;s4s11;d12;s9;s14;d15;s16;d17;d14s18;s8;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:4
ZAP Information [?]
Total:7.93481
Area:487.075
Solvation:-4.24207
Coulombic:-32.3183
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.413
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.66
LogP (Chemaxon):2.71

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