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Chemical ID: 4561491
Chemical ID:
4561491
Name [?]:
None
SMILES [?]:
CC1=C2CC3C(CC2(CCC1)C)OC(=O)C3CN(C)CCc4ccccn4
InChi [?]:
InChI=1/C23H32N2O2/c1-16-7-6-10-23(2)14-21-18(13-20(16)23)19(22(26)27-21)15-25(3)12-9-17-8-4-5-11-24-17/h4-5,8,11,18-19,21H,6-7,9-10,12-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,19,24,25,10,11,23,21,9,26,20,4,7,17,2,22,5,16,3,6,14,8,27,18,15,13/rA:27cCCCCCCCCCCCCOCOCCNCCCCCCCCN/rB:s1;d2;s3;s4;s5;s6;s3s7;s8;s9;s2s10;s8;s6;s13;d14;s5s14;s16;s17;s18;s18;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 11.5108 |
Area: | 592.576 |
Solvation: | -3.30363 |
Coulombic: | -28.6579 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 368.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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