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Chemical ID: 6041982
Chemical ID:
6041982
Name [?]:
2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-N-isopentyl-acetamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCC(C)C
InChi [?]:
InChI=1/C20H30N2O3/c1-6-20(4,5)15-7-8-17-16(11-15)22(19(24)13-25-17)12-18(23)21-10-9-14(2)3/h7-8,11,14H,6,9-10,12-13H2,1-5H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,4,5,2,7,8,22,21,11,17,15,23,6,10,9,18,13,3,20,12,19,14,16/E:(2,3)(4,5)/rA:25nCCCCCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.517 |
Area: | 583.55 |
Solvation: | -4.07178 |
Coulombic: | -46.9618 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 346.464 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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