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Chemical ID: 7097479
Chemical ID:
7097479
Name [?]:
N-cyclohexyl-10-[(2,6-dimethyl-1-piperidyl)carbonylmethyl]-8,8-dimethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1CCCC(N1C(=O)CN2c3cc(ccc3OC(C2=O)(C)C)C(=O)NC4CCCCC4)C
InChi [?]:
InChI=1/C26H37N3O4/c1-17-9-8-10-18(2)29(17)23(30)16-28-21-15-19(24(31)27-20-11-6-5-7-12-20)13-14-22(21)33-26(3,4)25(28)32/h13-15,17-18,20H,5-12,16H2,1-4H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,33,22,23,30,29,31,4,3,5,28,32,15,16,13,10,2,6,14,27,12,17,8,24,20,19,26,11,7,9,25,21,18/E:(1,2)(3,4)(6,7)(9,10)(11,12)(17,18)/rA:33cCCCCCCNCOCNCCCCCCOCCOCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s19;s19;s14;d24;s24;s26;s27;s28;s29;s30;s27s31;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H37N3O4 |
All Atoms: | 70 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.8215 |
Area: | 668.167 |
Solvation: | -3.88267 |
Coulombic: | -64.4486 |
Bond Count [?]
All: | 36 |
Single: | 30 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 455.59 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.76 |
LogP (Chemaxon): | 2.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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