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Chemical ID: 6041978
Chemical ID:
6041978
Name [?]:
N-cyclopropyl-2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-acetamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CC3
InChi [?]:
InChI=1/C18H24N2O3/c1-4-18(2,3)12-5-8-15-14(9-12)20(17(22)11-23-15)10-16(21)19-13-6-7-13/h5,8-9,13H,4,6-7,10-11H2,1-3H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,7,22,23,8,11,17,15,6,21,10,9,18,13,3,20,12,19,14,16/E:(2,3)(6,7)/rA:23nCCCCCCCCCCCNCOCOCCONCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04764 |
Area: | 526.922 |
Solvation: | -4.1254 |
Coulombic: | -45.8174 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.9 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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