Chemical ID: 5897660

CCC(=O)N1CCN(CC1C)c2cc(nc(n2)SCC(=O)NCc3ccco3)Cl
Chemical ID:
5897660
Name [?]:
2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)-pyrimidin-2-yl]sulfanyl-N-(2-furylmethyl)acetamide
SMILES [?]:
CCC(=O)N1CCN(CC1C)c2cc(nc(n2)SCC(=O)NCc3ccco3)Cl
InChi [?]:
InChI=1/C19H24ClN5O3S/c1-3-18(27)25-7-6-24(11-13(25)2)16-9-15(20)22-19(23-16)29-12-17(26)21-10-14-5-4-8-28-14/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,21,26)
InChi Info:
AuxInfo=1/1/N:1,11,2,26,25,7,6,27,13,23,9,19,10,24,14,12,20,3,16,29,22,15,17,8,5,21,4,28,18/rA:29cCCCONCCNCCCCCCNCNSCCONCCCCCOCl/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s10;s8;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s20;s22;s23;d24;s25;d26;s24s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24ClN5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.5424
Area:676.668
Solvation:-5.37432
Coulombic:-60.2686
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:437.944
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.67
LogP (Chemaxon):2.57

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Descriptor Annotations

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