Chemical ID: 6152601

CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
6152601
Name [?]:
N-(3,4-dichlorophenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C18H15Cl2N3O2S/c1-23-16(24)10-15(26-18(23)22-11-5-3-2-4-6-11)17(25)21-12-7-8-13(19)14(20)9-12/h2-9,15H,10H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,11,15,20,21,24,5,10,19,22,23,6,3,16,8,26,25,18,9,2,4,17,7/E:(3,4)(5,6)/rA:26cCNCOCCSCNCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s6;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15Cl2N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.309
Area:588.994
Solvation:-3.41588
Coulombic:-42.9174
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:408.302
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.1
LogP (Chemaxon):4.91

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Descriptor Annotations

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