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Chemical ID: 5973549
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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