Chemical ID: 3973009

CC(C)CC1(C2C(C(N1)c3ccc(cc3)Cl)C(=O)N(C2=O)C)C(=O)O
Chemical ID:
3973009
Name [?]:
6-(4-chlorophenyl)-8-isobutyl-3-methyl-2,4-dioxo-3,7-diazabicyclo[3.3.0]octane-8-carboxylic acid
SMILES [?]:
CC(C)CC1(C2C(C(N1)c3ccc(cc3)Cl)C(=O)N(C2=O)C)C(=O)O
InChi [?]:
InChI=1/C18H21ClN2O4/c1-9(2)8-18(17(24)25)13-12(15(22)21(3)16(13)23)14(20-18)10-4-6-11(19)7-5-10/h4-7,9,12-14,20H,8H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,22,11,15,12,14,4,2,10,13,7,6,8,17,20,23,5,16,9,19,18,21,24,25/E:(1,2)(4,5)(6,7)(24,25)/rA:25cCCCCCCCCNCCCCCCClCONCOCCOO/rB:s1;s2;s2;s4;s5;s6;s7;s5s8;s8;s10;d11;s12;d13;d10s14;s13;s7;d17;s17;s6s19;d20;s19;s5;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:8.40767
Area:502.038
Solvation:-4.14327
Coulombic:-60.1839
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.823
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.78
LogP (Chemaxon):-0.34

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