methyl 4-{2-[(6-benzyl-9-chloro-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-9-chloro-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-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G071-1309 |
| Compound Name: | methyl 4-{2-[(6-benzyl-9-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 581.07 |
| Molecular Formula: | C27 H21 Cl N4 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2517 |
| logD: | 5.2516 |
| logSw: | -5.62 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.49 |
| InChI Key: | HTNMFFOMFNMJNG-UHFFFAOYSA-N |