6-benzyl-9-chloro-2-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
6-benzyl-9-chloro-2-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
6-benzyl-9-chloro-2-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-1352 |
| Compound Name: | 6-benzyl-9-chloro-2-({2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 610.13 |
| Molecular Formula: | C29 H25 Cl F N5 O3 S2 |
| Smiles: | C1CN(CCN1C(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.2376 |
| logD: | 5.2376 |
| logSw: | -5.6121 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.518 |
| InChI Key: | XFPNBLLNEXKLHS-UHFFFAOYSA-N |