Chemical ID: 3927957

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N(CCc3ccccc3)Cc4ccccc4)Cc5ccccc5)C
Chemical ID:
3927957
Name [?]:
N,10-dibenzyl-8,8-dimethyl-9-oxo-N-phenethyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N(CCc3ccccc3)Cc4ccccc4)Cc5ccccc5)C
InChi [?]:
InChI=1/C33H32N2O3/c1-33(2)32(37)35(24-27-16-10-5-11-17-27)29-22-28(18-19-30(29)38-33)31(36)34(23-26-14-8-4-9-15-26)21-20-25-12-6-3-7-13-25/h3-19,22H,20-21,23-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,21,28,35,20,22,27,29,34,36,19,23,26,30,33,37,9,10,17,16,7,24,31,18,25,32,8,6,11,13,3,2,15,5,14,4,12/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:38nCCCONCCCCCCOCONCCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;d19;s20;d21;d18s22;s15;s24;s25;d26;s27;d28;d25s29;s5;s31;s32;d33;s34;d35;d32s36;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H32N2O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:14.5603
Area:740.473
Solvation:-3.95158
Coulombic:-48.3998
Bond Count [?]
All:42
Single:28
Double:14
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:504.619
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.27
LogP (Chemaxon):6.06

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