1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | D361-1770 |
Compound Name: | 1-(3-chloro-4-methylphenyl)-4-(3-methoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 413.92 |
Molecular Formula: | C21 H20 Cl N3 O2 S |
Smiles: | Cc1ccc(cc1[Cl])n1c2c(C(c3cccc(c3)OC)SCC(N2)=O)c(C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8588 |
logD: | 4.8582 |
logSw: | -5.013 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.966 |
InChI Key: | HWIXNSFHRJGJMW-HXUWFJFHSA-N |