Chemical ID: 4571157

CC(C)Oc1ccc(cc1)C2N3CC4(CC(C3)(CN2C4)C)C
Chemical ID:
4571157
Name [?]:
None
SMILES [?]:
CC(C)Oc1ccc(cc1)C2N3CC4(CC(C3)(CN2C4)C)C
InChi [?]:
InChI=1/C19H28N2O/c1-14(2)22-16-7-5-15(6-8-16)17-20-10-18(3)9-19(4,12-20)13-21(17)11-18/h5-8,14,17H,9-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,7,9,6,10,15,17,18,13,20,2,8,5,11,16,14,12,19,4/E:(1,2)(3,4)(5,6)(7,8)(10,11,12,13)(18,19)(20,21)/rA:22nCCCOCCCCCCCNCCCCCCNCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s12s16;s16;s11s18;s14s19;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H28N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.85264
Area:477.432
Solvation:-2.08315
Coulombic:-19.557
Bond Count [?]
All:25
Single:22
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:300.439
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.65
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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