3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V016-6623 |
| Compound Name: | 3-tert-butyl-1-(4-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C26 H29 F N4 O3 S2 |
| Smiles: | CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(N3CCOCC3)=O)c2n(c2ccc(cc2)F)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9338 |
| logD: | 3.9338 |
| logSw: | -3.8339 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.616 |
| InChI Key: | BHILRTTZSHUZLO-QHCPKHFHSA-N |