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Chemical ID: 5973538
Chemical ID:
5973538
Name [?]:
N-hexyl-5-[(4-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
CCCCCCNC(=O)c1ccc(o1)CN2c3ccc(cc3OCC2=O)C
InChi [?]:
InChI=1/C21H26N2O4/c1-3-4-5-6-11-22-21(25)18-10-8-16(27-18)13-23-17-9-7-15(2)12-19(17)26-14-20(23)24/h7-10,12H,3-6,11,13-14H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,4,5,19,12,18,11,6,21,15,24,20,13,17,10,22,25,8,7,16,26,9,23,14/rA:27nCCCCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;d10;s11;d12;s10s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.448 |
Area: | 625.299 |
Solvation: | -4.18446 |
Coulombic: | -56.3886 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 370.442 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.55 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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