8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(thiophen-2-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]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V007-1519 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 636.19 |
| Molecular Formula: | C31 H30 Cl N5 O4 S2 |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)c1cccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3954 |
| logD: | 4.3954 |
| logSw: | -4.6345 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.175 |
| InChI Key: | IWFICWFIXMREQH-PMERELPUSA-N |