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Chemical ID: 3927832
Chemical ID:
3927832
Name [?]:
10-[(4-fluorophenyl)methyl]-8,8-dimethyl-3-(1-piperidylcarbonyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCCC3)Cc4ccc(cc4)F)C
InChi [?]:
InChI=1/C23H25FN2O3/c1-23(2)22(28)26(15-16-6-9-18(24)10-7-16)19-14-17(8-11-20(19)29-23)21(27)25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,18,17,19,23,27,9,24,26,10,16,20,7,21,22,8,25,6,11,13,3,2,28,15,5,14,4,12/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:29nCCCONCCCCCCOCONCCCCCCCCCCCCFC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s15s19;s5;s21;s22;d23;s24;d25;d22s26;s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25FN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5019 |
Area: | 580.679 |
Solvation: | -4.01505 |
Coulombic: | -47.9563 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 396.455 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.71 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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