3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-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-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-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: | V007-6409 |
| Compound Name: | 3-tert-butyl-1-(2-chlorophenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 557.09 |
| Molecular Formula: | C28 H30 Cl F N4 O3 S |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)F)SCC(N(CC(N3CCOCC3)=O)c2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8257 |
| logD: | 4.8257 |
| logSw: | -4.8813 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.296 |
| InChI Key: | BQOGFCGPJMXXFL-RUZDIDTESA-N |