Chemical ID: 5187128

Cc1ccc2c(c1)c(=O)oc(n2)c3cc(c(cc3OC)OC)OC
Chemical ID:
5187128
Name [?]:
8-methyl-3-(2,4,5-trimethoxyphenyl)-4-oxa-2-azabicyclo[4.4.0]deca-2,7,9,11-tetraen-5-one
SMILES [?]:
Cc1ccc2c(c1)c(=O)oc(n2)c3cc(c(cc3OC)OC)OC
InChi [?]:
InChI=1/C18H17NO5/c1-10-5-6-13-11(7-10)18(20)24-17(19-13)12-8-15(22-3)16(23-4)9-14(12)21-2/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,24,22,3,4,7,14,17,2,6,13,5,18,15,16,11,8,12,9,19,23,21,10/rA:24nCCCCCCCCOOCNCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s5d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s15;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.12474
Area:510.469
Solvation:-6.637
Coulombic:-45.2993
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.331
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.09
LogP (Chemaxon):2.82

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Descriptor Annotations

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