N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Compound characteristics
| Compound ID: | K906-1939 |
| Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C20 H19 Cl N4 O5 S3 |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(NC(CCSC)C(Nc1nc2ccc(cc2s1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2168 |
| logD: | 4.2107 |
| logSw: | -4.6585 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.83 |
| InChI Key: | NNCQFUHODKQXSV-AWEZNQCLSA-N |