Chemical ID: 3997632

c1cc(c(cc1Cl)Cl)c2csc(n2)NC(=O)CC#N
Chemical ID:
3997632
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-nitrido-propanamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)c2csc(n2)NC(=O)CC#N
InChi [?]:
InChI=1/C12H7Cl2N3OS/c13-7-1-2-8(9(14)5-7)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,5,10,6,3,4,9,15,12,7,8,19,13,14,16,11/rA:19nCCCCCCClClCCSCNNCOCCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7Cl2N3OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.4411
Area:494.306
Solvation:-3.91654
Coulombic:-27.3563
Bond Count [?]
All:20
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.175
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.68
LogP (Chemaxon):3.95

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