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Chemical ID: 6722257
Chemical ID:
6722257
Name [?]:
N-[2-(2-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CC1CCCC[NH+]1CCNC(=O)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C18H25N3O3/c1-14-6-4-5-10-20(14)11-9-19-17(22)12-21-15-7-2-3-8-16(15)24-13-18(21)23/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,4,5,3,16,19,9,6,8,13,22,2,15,20,11,23,10,7,14,12,24,21/rA:24cCCCCCCN+CCNCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N3O3+ |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -19.552 |
Area: | 538.651 |
Solvation: | -33.0183 |
Coulombic: | -15.7826 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.14 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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