Chemical ID: 5517135

CC1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccccc4Cl
Chemical ID:
5517135
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-4-[(4-methyl-1-piperidyl)methyl]benzamide
SMILES [?]:
CC1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccccc4Cl
InChi [?]:
InChI=1/C24H26ClN3OS/c1-17-10-12-28(13-11-17)16-18-6-8-19(9-7-18)23(29)27-24-26-15-21(30-24)14-20-4-2-3-5-22(20)25/h2-9,15,17H,10-14,16H2,1H3,(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,26,27,25,28,10,14,11,13,3,7,4,6,23,20,8,2,9,12,24,21,29,15,18,30,19,17,5,16,22/E:(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCNCCCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26ClN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.3856
Area:672.854
Solvation:-3.43577
Coulombic:-34.2635
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:440.002
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):5.5

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Descriptor Annotations

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