Chemical ID: 3947250

CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCCC3)CC(=O)NC(C)(C)C)C
Chemical ID:
3947250
Name [?]:
N-cyclohexyl-8,8-dimethyl-9-oxo-10-(tert-butylcarbamoylmethyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCCC3)CC(=O)NC(C)(C)C)C
InChi [?]:
InChI=1/C23H33N3O4/c1-22(2,3)25-19(27)14-26-17-13-15(20(28)24-16-9-7-6-8-10-16)11-12-18(17)30-23(4,5)21(26)29/h11-13,16H,6-10,14H2,1-5H3,(H,24,28)(H,25,27)
InChi Info:
AuxInfo=1/1/N:27,28,29,1,30,19,18,20,17,21,9,10,7,22,8,16,6,11,23,13,3,26,2,15,25,5,24,14,4,12/E:(1,2,3)(4,5)(7,8)(9,10)/rA:30nCCCONCCCCCCOCONCCCCCCCCONCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s19;s16s20;s5;s22;d23;s23;s25;s26;s26;s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H33N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8671
Area:633.02
Solvation:-3.95841
Coulombic:-68.5916
Bond Count [?]
All:32
Single:26
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.526
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.14
LogP (Chemaxon):1.58

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue