Chemical ID: 5385941

CN1CCN(CC1)c2ccc(cc2)NC(=O)CSc3ccc(cc3)Cl
Chemical ID:
5385941
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-acetamide
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H22ClN3OS/c1-22-10-12-23(13-11-22)17-6-4-16(5-7-17)21-19(24)14-25-18-8-2-15(20)3-9-18/h2-9H,10-14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,23,10,12,9,13,20,24,3,7,4,6,17,22,11,8,19,15,25,14,2,5,16,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCNCCNCCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.112
Area:597.11
Solvation:-3.81577
Coulombic:-32.3717
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.916
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.71
LogP (Chemaxon):4.04

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Descriptor Annotations

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