8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)-3-phenyl-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-(4-methoxyphenyl)-3-phenyl-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-(4-methoxyphenyl)-3-phenyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | V027-7643 |
Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-(4-methoxyphenyl)-3-phenyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 601.75 |
Molecular Formula: | C31 H31 N5 O4 S2 |
Salt: | not_available |
Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2ccsc2)c2c(c3ccccc3)nn(c3ccc(cc3)OC)c12)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.7837 |
logD: | 3.7837 |
logSw: | -3.9083 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 72.175 |
InChI Key: | PHDWNOGEUTUWPF-PMERELPUSA-N |