Chemical ID: 5861850

CC(C)C(C(=O)NN=Cc1cccc(c1)O)NC(=O)c2ccc3c(c2)OCO3
Chemical ID:
5861850
Name [?]:
N-[1-[(3-hydroxyphenyl)methyleneaminocarbamoyl]-2-methyl-propyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1cccc(c1)O)NC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C20H21N3O5/c1-12(2)18(20(26)23-21-10-13-4-3-5-15(24)8-13)22-19(25)14-6-7-16-17(9-14)28-11-27-16/h3-10,12,18,24H,11H2,1-2H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,12,11,13,21,22,15,25,9,27,2,10,20,14,23,24,4,18,5,8,17,7,16,19,6,28,26/E:(1,2)/rA:28cCCCCCONNCCCCCCCONCOCCCCCCOCO/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.08907
Area:604.02
Solvation:-6.01144
Coulombic:-73.0683
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:383.398
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:3.7
LogP (Chemaxon):2.98

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