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Chemical ID: 7659932
Chemical ID:
7659932
Name [?]:
None
SMILES [?]:
CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCn4cc(c(n4)C)Br
InChi [?]:
InChI=1/C20H30BrN3O/c1-3-18(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19(25)4-5-24-12-17(21)13(2)23-24/h12,14-16,18H,3-11H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,24,2,17,18,7,10,12,9,5,13,20,22,8,6,11,21,3,15,4,25,14,23,19,16/E:(6,7,8)(9,10,11)(14,15,16)/rA:25cCCCCCCCCCCCCCNCOCCNCCCNCBr/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s6s11;s4s11;s3;s14;d15;s15;s17;s18;s19;d20;s21;s19d22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H30BrN3O |
All Atoms: | 55 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.0571 |
Area: | 565.473 |
Solvation: | -2.07974 |
Coulombic: | -25.6913 |
Bond Count [?]
All: | 28 |
Single: | 25 |
Double: | 3 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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