8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-di-tert-butyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-di-tert-butyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-di-tert-butyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V007-6474 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-di-tert-butyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 531.74 |
| Molecular Formula: | C26 H37 N5 O3 S2 |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2ccsc2)c2c(C(C)(C)C)nn(c12)C(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2411 |
| logD: | 3.2411 |
| logSw: | -3.1583 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.869 |
| InChI Key: | BTNDFLQTYORXAS-QFIPXVFZSA-N |