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Chemical ID: 3966649
Chemical ID:
3966649
Name [?]:
None
SMILES [?]:
CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C
InChi [?]:
InChI=1/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:15,16,17,1,27,18,8,9,19,4,23,3,22,6,7,5,10,20,24,11,14,2,21,26,13,25,12/E:(1,2,3)/rA:27cCCCCCCCCCCCONCCCCCCCCCCCONC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;d11;s11;s13;s14;s14;s14;s6;s18;s19;s5s20;s21;d22;s23;d24;s20s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H36N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 11.0683 |
Area: | 546.041 |
Solvation: | -2.58269 |
Coulombic: | -44.269 |
Bond Count [?]
All: | 30 |
Single: | 27 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 372.544 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.65 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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