8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-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]-3-tert-butyl-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V007-1449 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 605.76 |
| Molecular Formula: | C32 H39 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2ccccc2OC)c2c(C(C)(C)C)nn(c3ccc(cc3)OC)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1953 |
| logD: | 4.1953 |
| logSw: | -4.2243 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.059 |
| InChI Key: | VGACTSBDAGQBQN-GDLZYMKVSA-N |