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Chemical ID: 4556563
Chemical ID:
4556563
Name [?]:
None
SMILES [?]:
CC1C23CCCN4C2C5(C1(C(C3)C(=O)OC)Nc6c5cccc6)CC4
InChi [?]:
InChI=1/C21H26N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-4,6-7,13,15,18,22H,5,8-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,21,22,5,20,23,4,24,6,25,12,2,19,11,18,13,8,3,9,10,17,7,14,15/rA:25cCCCCCCNCCCCCCOOCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s2s9;s10;s3s11;s11;d13;s13;s15;s10;s17;s9s18;d19;s20;d21;d18s22;s9;s7s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 30 |
Single: | 26 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.443 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.27 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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