N-ethylethanaminium--2-(2-amino-2-oxoethyl)-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1)
Chemical Structure Depiction of
N-ethylethanaminium--2-(2-amino-2-oxoethyl)-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1)
N-ethylethanaminium--2-(2-amino-2-oxoethyl)-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1)
Compound characteristics
| Compound ID: | 4965-0108 |
| Compound Name: | N-ethylethanaminium--2-(2-amino-2-oxoethyl)-3-benzoyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1) |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C17 H13 N2 O5 S |
| Salt: | (C2H5)2NH2+ |
| Smiles: | C(C(N)=O)N1C(=C(c2ccccc2S1(=O)=O)[O-])C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3972 |
| logD: | 1.3972 |
| logSw: | -2.5781 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.869 |
| InChI Key: | LMYOLJFIEIQBBA-UHFFFAOYSA-M |