Chemical ID: 6631774

c1ccc2c(c1)cccc2C(=O)NCC(=O)NN=Cc3ccc4c(c3)OCO4
Chemical ID:
6631774
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneaminocarbamoylmethyl)naphthalene-1-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)NCC(=O)NN=Cc3ccc4c(c3)OCO4
InChi [?]:
InChI=1/C21H17N3O4/c25-20(24-23-11-14-8-9-18-19(10-14)28-13-27-18)12-22-21(26)17-7-3-5-15-4-1-2-6-16(15)17/h1-11H,12-13H2,(H,22,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,21,22,25,19,14,27,20,5,4,10,23,24,15,11,13,18,17,16,12,28,26/rA:28nCCCCCCCCCCCONCCONNCCCCCCCOCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.38225
Area:593.106
Solvation:-5.4454
Coulombic:-57.9604
Bond Count [?]
All:31
Single:20
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:375.378
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.19
LogP (Chemaxon):2.85

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