Chemical ID: 6148009

Cc1ccc(cc1Cl)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc5ccccc5c4
Chemical ID:
6148009
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-[7-(2-naphthyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)Cn2cnc3c(c2=O)c(cs3)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C25H18ClN3O2S/c1-15-6-9-19(11-21(15)26)28-22(30)12-29-14-27-24-23(25(29)31)20(13-32-24)18-8-7-16-4-2-3-5-17(16)10-18/h2-11,13-14H,12H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,28,29,27,30,3,25,24,4,32,6,12,21,14,2,26,31,23,5,20,7,10,17,16,18,8,15,9,13,11,19,22/rA:32nCCCCCCCClNCOCNCNCCCOCCSCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;s13s17;d18;s17;d20;s16s21;s20;s23;d24;s25;s26;d27;s28;d29;d26s30;d23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18ClN3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.692
Area:663.049
Solvation:-3.88426
Coulombic:-44.5071
Bond Count [?]
All:36
Single:23
Double:13
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:459.948
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.9
LogP (Chemaxon):5.72

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Descriptor Annotations

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