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Chemical ID: 4507254
Chemical ID:
4507254
Name [?]:
4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-N-phenethyl-benzamide
SMILES [?]:
CN1C2CCC1CC(C2)N(CCc3ccccc3)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H27ClN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,20-22H,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,22,26,23,25,4,5,12,11,9,7,13,21,24,3,6,8,19,27,2,10,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(15,16)(20,21)/rA:27cCNCCCCCCCNCCCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27ClN2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.1244 |
Area: | 582.304 |
Solvation: | -2.43321 |
Coulombic: | -25.3871 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 382.926 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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