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Chemical ID: 4303415
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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