Chemical ID: 6651849

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccc3c(c2)OCO3
Chemical ID:
6651849
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneaminocarbamoylmethyl)-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C18H17N3O4/c1-12-3-2-4-14(7-12)18(23)19-10-17(22)21-20-9-13-5-6-15-16(8-13)25-11-24-15/h2-9H,10-11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,18,19,7,22,16,11,24,2,17,6,20,21,12,8,10,15,14,13,9,25,23/rA:25nCCCCCCCCONCCONNCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.75455
Area:563.218
Solvation:-5.32589
Coulombic:-56.768
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:339.345
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.36
LogP (Chemaxon):2.32

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