Chemical ID: 4303415

c1ccc2c(c1)C(=NNC(=O)CCc3ccc4c(c3)OCO4)C(=O)N2
Chemical ID:
4303415
Name [?]:
3-benzo[1,3]dioxol-5-yl-N-(2-oxoindolin-3-ylidene)amino-propanamide
SMILES [?]:
c1ccc2c(c1)C(=NNC(=O)CCc3ccc4c(c3)OCO4)C(=O)N2
InChi [?]:
InChI=1/C18H15N3O4/c22-16(8-6-11-5-7-14-15(9-11)25-10-24-14)20-21-17-12-3-1-2-4-13(12)19-18(17)23/h1-5,7,9H,6,8,10H2,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,13,16,12,19,21,14,5,4,17,18,10,7,23,25,9,8,11,24,22,20/rA:25nCCCCCCCNNCOCCCCCCCCOCOCON/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;s7;d23;s4s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.88181
Area:552.047
Solvation:-5.91937
Coulombic:-56.0212
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.6
LogP (Chemaxon):2.83

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