methyl 4-{2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G071-0042 |
| Compound Name: | methyl 4-{2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C27 H22 N4 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4847 |
| logD: | 4.4846 |
| logSw: | -4.3023 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.49 |
| InChI Key: | HFRQOYZIRZFASR-UHFFFAOYSA-N |