Chemical ID: 6152639

CN1C(=O)CC(SC1=Nc2ccc(cc2)C(=O)OC)C(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
6152639
Name [?]:
methyl 4-[[6-[(3,4-dichlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccc(cc2)C(=O)OC)C(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O4S/c1-25-17(26)10-16(18(27)23-13-7-8-14(21)15(22)9-13)30-20(25)24-12-5-3-11(4-6-12)19(28)29-2/h3-9,16H,10H2,1-2H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,19,12,14,11,15,24,25,28,5,13,10,23,26,27,6,3,20,16,8,30,29,22,9,2,4,21,17,18,7/E:(3,4)(5,6)/rA:30cCNCOCCSCNCCCCCCCOOCCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s6;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl2N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.2622
Area:667.854
Solvation:-4.43417
Coulombic:-61.5062
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:466.338
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.04
LogP (Chemaxon):4.46

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Descriptor Annotations

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