Chemical ID: 5861659

COc1ccccc1C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3
Chemical ID:
5861659
Name [?]:
N-[(2-methoxyphenyl)methyleneaminocarbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
COc1ccccc1C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C18H17N3O5/c1-24-14-5-3-2-4-13(14)9-20-21-17(22)10-19-18(23)12-6-7-15-16(8-12)26-11-25-15/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,19,20,23,9,14,25,18,8,3,21,22,12,16,15,10,11,13,17,2,26,24/rA:26nCOCCCCCCCNNCOCNCOCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.94613
Area:578.733
Solvation:-6.5222
Coulombic:-63.4352
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:355.345
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.84
LogP (Chemaxon):1.6

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