Chemical ID: 7097479

CC1CCCC(N1C(=O)CN2c3cc(ccc3OC(C2=O)(C)C)C(=O)NC4CCCCC4)C
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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