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Chemical ID: 3927971
Chemical ID:
3927971
Name [?]:
N-benzyl-8,8-dimethyl-9-oxo-10-phenacyl-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)CC(=O)c5ccccc5)C
InChi [?]:
InChI=1/C34H32N2O4/c1-34(2)33(39)36(24-30(37)27-16-10-5-11-17-27)29-22-28(18-19-31(29)40-34)32(38)35(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:1,40,21,28,37,20,22,27,29,36,38,19,23,26,30,35,39,9,10,17,16,7,24,31,18,25,34,8,6,32,11,13,3,2,15,5,33,14,4,12/E:(1,2)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:40nCCCONCCCCCCOCONCCCCCCCCCCCCCCCCCOCCCCCCC/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;d32;s32;s34;d35;s36;d37;d34s38;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H32N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.6606 |
Area: | 782.057 |
Solvation: | -4.89085 |
Coulombic: | -55.7348 |
Bond Count [?]
All: | 44 |
Single: | 29 |
Double: | 15 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 532.629 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.88 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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