Chemical ID: 5973266

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)N4CCCC4
Chemical ID:
5973266
Name [?]:
5-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)N4CCCC4
InChi [?]:
InChI=1/C20H20N2O3/c23-19-14-25-18-6-2-1-5-17(18)22(19)13-15-7-9-16(10-8-15)20(24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2
InChi Info:
AuxInfo=1/0/N:1,2,23,24,6,3,14,18,15,17,22,25,12,10,13,16,5,4,8,19,21,7,9,20,11/E:(3,4)(7,8)(9,10)(11,12)/rA:25nCCCCCCNCOCOCCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.41082
Area:525.927
Solvation:-3.73737
Coulombic:-43.4366
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.384
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.56
LogP (Chemaxon):1.85

Name Annotations

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Descriptor Annotations

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