Chemical ID: 7387551

COc1ccc(cc1)C=CC(=O)NCCc2c[nH]c3c2cc(cc3)Cl
Chemical ID:
7387551
Name [?]:
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=CC(=O)NCCc2c[nH]c3c2cc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2/c1-25-17-6-2-14(3-7-17)4-9-20(24)22-11-10-15-13-23-19-8-5-16(21)12-18(15)19/h2-9,12-13,23H,10-11H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,23,4,8,24,10,15,14,21,17,6,16,22,3,20,19,11,25,13,18,12,2/E:(2,3)(6,7)/rA:25nCOCCCCCCCCCONCCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1311
Area:602.907
Solvation:-3.94162
Coulombic:-41.1462
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:354.83
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):4.23

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