3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V009-3658 |
| Compound Name: | 3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 603.14 |
| Molecular Formula: | C32 H31 Cl N4 O4 S |
| Smiles: | Cc1ccccc1C1c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c2N(CC(N2CCOCC2)=O)C(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4012 |
| logD: | 5.4012 |
| logSw: | -5.9413 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.869 |
| InChI Key: | ZTAJDWBYBXOJOZ-WJOKGBTCSA-N |