4-(2-methoxyphenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(2-methoxyphenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(2-methoxyphenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V021-1195 |
| Compound Name: | 4-(2-methoxyphenyl)-1-(2-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 568.7 |
| Molecular Formula: | C32 H32 N4 O4 S |
| Smiles: | Cc1ccccc1n1c2c(C(c3ccccc3OC)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8044 |
| logD: | 4.8044 |
| logSw: | -4.5412 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.655 |
| InChI Key: | ZHVRCBNKKJUOPY-WJOKGBTCSA-N |