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Chemical ID: 3947250
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
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Experimental Annotations
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Descriptor Annotations
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