Chemical ID: 6478020

Cc1ccc(c(c1)N)NC2=CC(=O)CC(C2)c3ccccc3
Chemical ID:
6478020
Name [?]:
3-(2-amino-4-methyl-phenyl)amino-5-phenyl-cyclohex-2-en-1-one
SMILES [?]:
Cc1ccc(c(c1)N)NC2=CC(=O)CC(C2)c3ccccc3
InChi [?]:
InChI=1/C19H20N2O/c1-13-7-8-19(18(20)9-13)21-16-10-15(11-17(22)12-16)14-5-3-2-4-6-14/h2-9,12,15,21H,10-11,20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,3,4,7,16,14,11,2,17,15,10,12,6,5,8,9,13/E:(3,4)(5,6)/rA:22cCCCCCCCNNCCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;d12;s12;s14;s10s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.91616
Area:499.824
Solvation:-2.57944
Coulombic:-36.76
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.375
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.76
LogP (Chemaxon):3.21

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