2-amino-4-(3-bromophenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-bromophenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
2-amino-4-(3-bromophenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
Compound characteristics
| Compound ID: | E738-0314 |
| Compound Name: | 2-amino-4-(3-bromophenyl)-6-[(3-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-4H-5lambda~6~-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile |
| Molecular Weight: | 534.43 |
| Molecular Formula: | C26 H20 Br N3 O3 S |
| Smiles: | Cc1cccc(CN2c3ccccc3C3=C(C(C(C#N)=C(N)O3)c3cccc(c3)[Br])S2(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4222 |
| logD: | 5.4222 |
| logSw: | -5.6018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.573 |
| InChI Key: | LYPKXCUOVIUPKT-QHCPKHFHSA-N |