Chemical ID: 5860684

CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3
Chemical ID:
5860684
Name [?]:
N-[(4-ethoxyphenyl)methyleneaminocarbamoylmethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CCOc1ccc(cc1)C=NNC(=O)CNC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C19H19N3O5/c1-2-25-15-6-3-13(4-7-15)10-21-22-18(23)11-20-19(24)14-5-8-16-17(9-14)27-12-26-16/h3-10H,2,11-12H2,1H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,20,5,9,21,24,10,15,26,7,19,4,22,23,13,17,16,11,12,14,18,3,27,25/E:(3,4)(6,7)/rA:27nCCOCCCCCCCNNCOCNCOCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.49863
Area:610.993
Solvation:-6.7762
Coulombic:-62.9731
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:369.371
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.26
LogP (Chemaxon):1.94

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Descriptor Annotations

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