Chemical ID: 5792130

COC(=O)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc3ccccc3c2
Chemical ID:
5792130
Name [?]:
methyl 4-[(2-naphthylcarbamoylformyl)aminoiminomethyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=NNC(=O)C(=O)Nc2ccc3ccccc3c2
InChi [?]:
InChI=1/C21H17N3O4/c1-28-21(27)16-8-6-14(7-9-16)13-22-24-20(26)19(25)23-18-11-10-15-4-2-3-5-17(15)12-18/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,26,7,9,6,10,21,20,28,11,8,22,5,27,19,16,14,3,12,18,13,17,15,4,2/E:(6,7)(8,9)/rA:28nCOCOCCCCCCCNNCOCONCCCCCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.325
Area:609.046
Solvation:-3.90114
Coulombic:-65.2992
Bond Count [?]
All:30
Single:18
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:375.378
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.23
LogP (Chemaxon):3.53

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