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Chemical ID: 3967292
Chemical ID:
3967292
Name [?]:
None
SMILES [?]:
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC1
InChi [?]:
InChI=1/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,24,18,17,13,12,8,26,22,7,27,15,9,19,16,14,11,10,20,4,25,21,6,5,3/E:(9,10)(12,13)/rA:27nCCOCONCCCCCCCCCCCCCCNCCCClCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s10s19;d20;s21;d22;d19s23;s14;s9;s6s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23ClN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0946 |
Area: | 582.176 |
Solvation: | -2.45979 |
Coulombic: | -36.2387 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 382.883 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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