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Chemical ID: 3927840
Chemical ID:
3927840
Name [?]:
N-benzyl-2-[8,8-dimethyl-9-oxo-3-(1-piperidylcarbonyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl]-acetamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)CC(=O)NCc4ccccc4)C
InChi [?]:
InChI=1/C25H29N3O4/c1-25(2)24(31)28(17-22(29)26-16-18-9-5-3-6-10-18)20-15-19(11-12-21(20)32-25)23(30)27-13-7-4-8-14-27/h3,5-6,9-12,15H,4,7-8,13-14,16-17H2,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,32,29,18,28,30,17,19,27,31,9,10,16,20,7,25,21,26,8,6,11,22,13,3,2,24,15,5,23,14,4,12/E:(1,2)(5,6)(7,8)(9,10)(13,14)/rA:32nCCCONCCCCCCOCONCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s15s19;s5;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29N3O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0588 |
Area: | 662.087 |
Solvation: | -4.49339 |
Coulombic: | -64.9996 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 435.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.72 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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