Chemical ID: 5973549

Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(o3)C(=O)N4CCCC4
Chemical ID:
5973549
Name [?]:
8-methyl-2-[(5-pyrrolidin-1-ylcarbonyl-2-furyl)methyl]-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-3-one
SMILES [?]:
Cc1ccc2c(c1)OCC(=O)N2Cc3ccc(o3)C(=O)N4CCCC4
InChi [?]:
InChI=1/C19H20N2O4/c1-13-4-6-15-17(10-13)24-12-18(22)21(15)11-14-5-7-16(25-14)19(23)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,3,15,4,16,22,25,7,13,9,2,14,5,17,6,10,19,21,12,11,20,8,18/E:(2,3)(8,9)/rA:25nCCCCCCCOCCONCCCCCOCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;d14;s15;d16;s14s17;s17;d19;s19;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.00945
Area:522.634
Solvation:-4.05639
Coulombic:-50.5519
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.373
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.71
LogP (Chemaxon):1.03

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