2-(2,5-Dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
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Product Code | F754997 |
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Product Name | 2-(2,5-Dichlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
Other Names | 2-(2,5-Dichlorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one |
CAS | 886361-99-5 |
Purity | 95+% |
Molecular weight | 324.22 |
IUPAC Name | 2-(2,5-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one |
SMILES | ClC1=CC(C2CC(=O)NC3=CC=CC=C3S2)=C(Cl)C=C1 |
INCHI Code | InChI=1/C15H11Cl2NOS/c16-9-5-6-11(17)10(7-9)14-8-15(19)18-12-3-1-2-4-13(12)20-14/h1-7,14H,8H2,(H,18,19) |
Asymmetric atoms | 1 |
LogP | 4.5622888 |
H bond acceptors | 1 |
H bond donors | 1 |
fsp3 | 0.13333334 |
Concept Codes | Phenyl, Heterocycle, Amide, Sulfide, Chloro, Halo, Lactam, 1,4-Dichlorobenzene, 7-Membered heterocycle, Dichlorobenzene, Cyclic, Aromatic |