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Chemical ID: 5973455
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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