N-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0707 |
| Compound Name: | N-benzyl-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C20 H17 Cl N4 O3 S2 |
| Smiles: | CN1c2ccc(cc2c2c(cnc(n2)SCC(NCc2ccccc2)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6627 |
| logD: | 3.6627 |
| logSw: | -4.0162 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.915 |
| InChI Key: | NLLLNQRFCINRQF-UHFFFAOYSA-N |