Chemical ID: 4819080

CC(C)N1CCC2(CC1)N3C(CC(=N3)c4ccc(c(c4)Cl)Cl)c5ccccc5O2
Chemical ID:
4819080
Name [?]:
None
SMILES [?]:
CC(C)N1CCC2(CC1)N3C(CC(=N3)c4ccc(c(c4)Cl)Cl)c5ccccc5O2
InChi [?]:
InChI=1/C23H25Cl2N3O/c1-15(2)27-11-9-23(10-12-27)28-21(17-5-3-4-6-22(17)29-23)14-20(26-28)16-7-8-18(24)19(25)13-16/h3-8,13,15,21H,9-12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,26,24,27,16,17,6,8,5,9,20,12,2,15,23,18,19,13,11,28,7,22,21,14,4,10,29/E:(1,2)(9,10)(11,12)/rA:29cCCCNCCCCCNCCCNCCCCCCClClCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;s19;s18;s11;s23;d24;s25;d26;d23s27;s7s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25Cl2N3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:12.5754
Area:628.875
Solvation:-3.14645
Coulombic:-20.7391
Bond Count [?]
All:33
Single:26
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:430.37
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.12
LogP (Chemaxon):5.94

Name Annotations

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Descriptor Annotations

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