Chemical ID: 5973455

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCCN4CCCCC4
Chemical ID:
5973455
Name [?]:
5-[(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]-N-[2-(1-piperidyl)ethyl]furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCCN4CCCCC4
InChi [?]:
InChI=1/C21H25N3O4/c25-20-15-27-18-7-3-2-6-17(18)24(20)14-16-8-9-19(28-16)21(26)22-10-13-23-11-4-1-5-12-23/h2-3,6-9H,1,4-5,10-15H2,(H,22,26)
InChi Info:
AuxInfo=1/1/N:26,1,2,25,27,6,3,14,15,21,24,28,22,12,10,13,5,4,16,8,18,20,23,7,9,19,11,17/E:(4,5)(11,12)/rA:28nCCCCCCNCOCOCCCCCOCONCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;s21;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.165
Area:612.694
Solvation:-4.15234
Coulombic:-60.9495
Bond Count [?]
All:31
Single:24
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:383.441
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.34
LogP (Chemaxon):0.41

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