Chemical ID: 6262406

c1cc2c3c(c1)c4c(cc3CC2)sc(n4)NC(=O)c5ccc(cc5Cl)Cl
Chemical ID:
6262406
Name [?]:
None
SMILES [?]:
c1cc2c3c(c1)c4c(cc3CC2)sc(n4)NC(=O)c5ccc(cc5Cl)Cl
InChi [?]:
InChI=1/C20H12Cl2N2OS/c21-12-6-7-13(15(22)9-12)19(25)24-20-23-18-14-3-1-2-10-4-5-11(17(10)14)8-16(18)26-20/h1-3,6-9H,4-5H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,21,20,9,23,3,10,22,19,5,24,8,4,7,17,14,26,25,15,16,18,13/rA:26nCCCCCCCCCCCCSCNNCOCCCCCCClCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s3s11;s8;s13;s7d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12Cl2N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8877
Area:573.055
Solvation:-2.43872
Coulombic:-29.2818
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:399.294
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.74
LogP (Chemaxon):6.61

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