Methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate
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Product Code | F789464 |
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Product Name | Methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate |
CAS | 1260530-39-9 |
Purity | 98% |
Molecular weight | 388.87 |
IUPAC Name | methyl 2-[5-(4-chlorophenyl)-7-methoxy-2-sulfanylidene-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetate |
SMILES | COC(=O)CC1N=C(C2=CC=C(Cl)C=C2)C2=C(NC1=S)C=CC(OC)=C2 |
INCHI Code | InChI=1/C19H17ClN2O3S/c1-24-13-7-8-15-14(9-13)18(11-3-5-12(20)6-4-11)21-16(19(26)22-15)10-17(23)25-2/h3-9,16H,10H2,1-2H3,(H,22,26) |
Asymmetric atoms | 1 |
LogP | 4.017065 |
H bond acceptors | 3 |
H bond donors | 1 |
fsp3 | 0.21052632 |
Concept Codes | Phenyl, Ester, Methoxy, Ether, Heterocycle, Chloro, Halo, Monochlorobenzene, Monosubstituted (para) monochlorobenzene, Cyclic, Aromatic, 1,4-Benzodiazepine, Benzodiazepine |