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 |