morpholin-4-ium--3-benzoyl-2-[2-(4-bromophenyl)-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1)
Chemical Structure Depiction of
morpholin-4-ium--3-benzoyl-2-[2-(4-bromophenyl)-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1)
morpholin-4-ium--3-benzoyl-2-[2-(4-bromophenyl)-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1)
Compound characteristics
| Compound ID: | 4965-0063 |
| Compound Name: | morpholin-4-ium--3-benzoyl-2-[2-(4-bromophenyl)-2-oxoethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazin-4-olate (1/1) |
| Molecular Weight: | 585.47 |
| Molecular Formula: | C23 H15 Br N O5 S |
| Salt: | O(CH2CH2)2NH2+ |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)N1C(=C(c2ccccc2S1(=O)=O)[O-])C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5306 |
| logD: | 4.5306 |
| logSw: | -4.4309 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.457 |
| InChI Key: | UDSKDRSZPQZZRU-UHFFFAOYSA-M |