3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-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-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-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: | V007-6455 |
| Compound Name: | 3-tert-butyl-4-(3-fluorophenyl)-1-(4-methoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 552.67 |
| Molecular Formula: | C29 H33 F N4 O4 S |
| Smiles: | CC(C)(C)c1c2C(c3cccc(c3)F)SCC(N(CC(N3CCOCC3)=O)c2n(c2ccc(cc2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3916 |
| logD: | 4.3916 |
| logSw: | -4.3453 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.141 |
| InChI Key: | YGPROMVETLHWTM-AREMUKBSSA-N |