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Chemical ID: 6041854
Chemical ID:
6041854
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-2-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C23H37N3O3/c1-7-25(8-2)13-9-10-17(3)24-21(27)15-26-19-14-18(23(4,5)6)11-12-20(19)29-16-22(26)28/h11-12,14,17H,7-10,13,15-16H2,1-6H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,5,10,27,28,29,2,4,7,8,19,20,6,17,14,23,9,18,16,21,12,24,26,11,3,15,13,25,22/E:(1,2)(4,5,6)(7,8)/rA:29cCCNCCCCCCCNCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s18;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H37N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.449 |
Area: | 661.284 |
Solvation: | -4.0831 |
Coulombic: | -51.6334 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 403.558 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.66 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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