3-{[(4-methoxyphenyl)(phenyl)methyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-{[(4-methoxyphenyl)(phenyl)methyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-{[(4-methoxyphenyl)(phenyl)methyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8006-3821 |
| Compound Name: | 3-{[(4-methoxyphenyl)(phenyl)methyl]amino}-6-nitro-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | COc1ccc(cc1)C(c1ccccc1)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6237 |
| logD: | 3.5958 |
| logSw: | -3.983 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.172 |
| InChI Key: | AYTVHFQFLLOYCA-FQEVSTJZSA-N |