N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Chemical Structure Depiction of
N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
Compound characteristics
| Compound ID: | D097-0018 |
| Compound Name: | N-[3-benzoyl-1,1-dioxo-2-(prop-2-en-1-yl)-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide |
| Molecular Weight: | 479.51 |
| Molecular Formula: | C24 H21 N3 O6 S |
| Smiles: | C=CCN1C(=C(c2ccccc2S1(=O)=O)NC(CN1C(CCC1=O)=O)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5616 |
| logD: | -1.7592 |
| logSw: | -2.7293 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.817 |
| InChI Key: | FBTNOKXSWNAUPG-UHFFFAOYSA-N |