Chemical ID: 4785591

Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N3CC4(CC3CC(C4)(C)C)C
Chemical ID:
4785591
Name [?]:
[3-(2,6-dichlorophenyl)-5-methyl-isoxazol-4-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-methanone
SMILES [?]:
Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N3CC4(CC3CC(C4)(C)C)C
InChi [?]:
InChI=1/C21H24Cl2N2O2/c1-12-16(18(24-27-12)17-14(22)6-5-7-15(17)23)19(26)25-11-21(4)9-13(25)8-20(2,3)10-21/h5-7,13H,8-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,26,27,10,9,11,22,20,24,18,2,21,8,12,3,7,4,15,23,19,14,13,5,17,16,6/E:(2,3)(6,7)(14,15)(22,23)/rA:27cCCCCNOCCCCCCClClCONCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s12;s8;s3;d15;s15;s17;s18;s19;s17s20;s21;s22;s19s23;s23;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24Cl2N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.7857
Area:532.259
Solvation:-2.52074
Coulombic:-22.4821
Bond Count [?]
All:30
Single:24
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:407.333
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.34
LogP (Chemaxon):5.2

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Descriptor Annotations

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