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Chemical ID: 5973076
Chemical ID:
5973076
Name [?]:
3-acetyl-10-[(4-methyl-1-piperidyl)carbonylmethyl]-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1CCN(CC1)C(=O)CN2c3cc(ccc3OCC2=O)C(=O)C
InChi [?]:
InChI=1/C18H22N2O4/c1-12-5-7-19(8-6-12)17(22)10-20-15-9-14(13(2)21)3-4-16(15)24-11-18(20)23/h3-4,9,12H,5-8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,15,16,3,7,4,6,13,10,19,2,22,14,12,17,8,20,5,11,23,9,21,18/E:(5,6)(7,8)/rA:24nCCCCNCCCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32147 |
Area: | 525.735 |
Solvation: | -4.8219 |
Coulombic: | -47.4992 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.378 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.32 |
LogP (Chemaxon): | 0.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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