Chemical ID: 4105128

c1cc(ccc1Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)Cl)Cl
Chemical ID:
4105128
Name [?]:
7-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
c1cc(ccc1Cn2cnc3c(c2=O)c(cs3)c4ccc(cc4)Cl)Cl
InChi [?]:
InChI=1/C19H12Cl2N2OS/c20-14-5-1-12(2-6-14)9-23-11-22-18-17(19(23)24)16(10-25-18)13-3-7-15(21)8-4-13/h1-8,10-11H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,19,23,2,4,20,22,7,16,9,6,18,3,21,15,12,11,13,25,24,10,8,14,17/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCCNCNCCCOCCSCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s15;s18;d19;s20;d21;d18s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12Cl2N2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.99
Area:563.593
Solvation:-2.09986
Coulombic:-25.6695
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:387.283
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.0
LogP (Chemaxon):5.46

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