Chemical ID: 6041923

c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3cccnc3
Chemical ID:
6041923
Name [?]:
4-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(3-pyridylmethyl)butanamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCc3cccnc3
InChi [?]:
InChI=1/C18H19N3O3/c22-17(20-12-14-5-3-9-19-11-14)8-4-10-21-15-6-1-2-7-16(15)24-13-18(21)23/h1-3,5-7,9,11H,4,8,10,12-13H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,13,20,6,3,14,22,12,24,18,10,19,5,4,15,8,23,17,7,16,9,11/rA:24nCCCCCCNCOCOCCCCONCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.06513
Area:551.943
Solvation:-4.73345
Coulombic:-49.4206
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.362
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.94
LogP (Chemaxon):0.42

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Descriptor Annotations

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