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Chemical ID: 6782736
Chemical ID:
6782736
Name [?]:
2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propyl]acetamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCC[NH+]3CCCCC3
InChi [?]:
InChI=1/C18H25N3O3/c22-17(19-9-6-12-20-10-4-1-5-11-20)13-21-15-7-2-3-8-16(15)24-14-18(21)23/h2-3,7-8H,1,4-6,9-14H2,(H,19,22)/p+1
InChi Info:
AuxInfo=1/1/N:22,1,2,21,23,17,6,3,16,20,24,18,12,10,5,4,13,8,15,19,7,14,9,11/E:(4,5)(10,11)/rA:24nCCCCCCNCOCOCCONCCCN+CCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s13;s15;s16;s17;s18;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N3O3+ |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.2266 |
Area: | 553.647 |
Solvation: | -34.0678 |
Coulombic: | -15.776 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.04 |
LogP (Chemaxon): | 0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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