Chemical ID: 6822607

CCC1CCCCN1C(=O)Cc2cn(c3c2cccc3)Cc4cccc(c4)Cl
Chemical ID:
6822607
Name [?]:
2-[1-[(3-chlorophenyl)methyl]indol-3-yl]-1-(2-ethyl-1-piperidyl)-ethanone
SMILES [?]:
CCC1CCCCN1C(=O)Cc2cn(c3c2cccc3)Cc4cccc(c4)Cl
InChi [?]:
InChI=1/C24H27ClN2O/c1-2-21-10-5-6-13-27(21)24(28)15-19-17-26(23-12-4-3-11-22(19)23)16-18-8-7-9-20(25)14-18/h3-4,7-9,11-12,14,17,21H,2,5-6,10,13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,5,6,24,23,25,4,17,20,7,27,11,21,13,22,12,26,3,16,15,9,28,14,8,10/rA:28cCCCCCCCNCOCCCNCCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;s9;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s14;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27ClN2O
All Atoms:55
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.5665
Area:620.731
Solvation:-2.95174
Coulombic:-24.2608
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.937
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.77
LogP (Chemaxon):5.85

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Descriptor Annotations

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