N-(6-methyl-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-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
N-(6-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide
Compound characteristics
| Compound ID: | K906-1951 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-N~2~-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methioninamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C21 H22 N4 O5 S3 |
| Smiles: | Cc1ccc2c(c1)sc(NC(C(CCSC)NS(c1ccc3c(c1)OC(N3C)=O)(=O)=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.984 |
| logD: | 3.9823 |
| logSw: | -4.1066 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.83 |
| InChI Key: | ZJDGPYTZZRAWAW-HNNXBMFYSA-N |