Chemical ID: 6041866

CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
Chemical ID:
6041866
Name [?]:
5-(3-pyrrolidin-1-ylcarbonylpropyl)-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
InChi [?]:
InChI=1/C20H28N2O3/c1-20(2,3)15-8-9-17-16(13-15)22(19(24)14-25-17)12-6-7-18(23)21-10-4-5-11-21/h8-9,13H,4-7,10-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,23,24,17,18,6,7,22,25,16,10,14,5,9,8,19,12,2,21,11,20,13,15/E:(1,2,3)(4,5)(10,11)/rA:25nCCCCCCCCCCNCOCOCCCCONCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;s17;s18;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3208
Area:572.004
Solvation:-3.97932
Coulombic:-40.6528
Bond Count [?]
All:27
Single:22
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.448
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.95
LogP (Chemaxon):2.15

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Descriptor Annotations

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