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Chemical ID: 5973113
Chemical ID:
5973113
Name [?]:
8-acetyl-5-[3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]propyl]-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CC4(CC3CC(C4)(C)C)C
InChi [?]:
InChI=1/C24H32N2O4/c1-16(27)17-7-8-20-19(10-17)25(22(29)13-30-20)9-5-6-21(28)26-15-24(4)12-18(26)11-23(2,3)14-24/h7-8,10,18H,5-6,9,11-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,30,16,17,5,6,15,9,25,23,13,27,21,2,4,24,8,7,18,11,26,22,10,20,3,19,12,14/E:(2,3)/rA:30cCCOCCCCCCNCOCOCCCCONCCCCCCCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;s22;s20s23;s24;s25;s22s26;s26;s26;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.0196 |
Area: | 643.19 |
Solvation: | -5.06016 |
Coulombic: | -47.365 |
Bond Count [?]
All: | 33 |
Single: | 27 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 412.522 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.26 |
LogP (Chemaxon): | 1.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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