3-tert-butyl-4-(3-chlorophenyl)-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-4-(3-chlorophenyl)-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-4-(3-chlorophenyl)-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-3469 |
| Compound Name: | 3-tert-butyl-4-(3-chlorophenyl)-1-(4-methoxyphenyl)-8-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 553.12 |
| Molecular Formula: | C29 H33 Cl N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)[Cl])SCC(N(CC(N3CCCC3)=O)c2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8483 |
| logD: | 5.8483 |
| logSw: | -5.9411 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.598 |
| InChI Key: | RNALVPJWDXKTAQ-AREMUKBSSA-N |