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Chemical ID: 3927957
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
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Experimental Annotations
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Descriptor Annotations
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