6-[(4-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
6-[(4-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione
Compound characteristics
| Compound ID: | G071-0656 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazine-5,5(6H)-dione |
| Molecular Weight: | 542.46 |
| Molecular Formula: | C25 H17 Cl2 N3 O3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])N1c2ccccc2c2c(cnc(n2)SCC(c2ccc(cc2)[Cl])=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7106 |
| logD: | 5.7106 |
| logSw: | -6.0225 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.414 |
| InChI Key: | WQPZUSWZJDAPAO-UHFFFAOYSA-N |