N-(4-methyl-1,3-benzothiazol-2-yl)-N~2~-(thiophene-2-sulfonyl)valinamide
Chemical Structure Depiction of
N-(4-methyl-1,3-benzothiazol-2-yl)-N~2~-(thiophene-2-sulfonyl)valinamide
N-(4-methyl-1,3-benzothiazol-2-yl)-N~2~-(thiophene-2-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C224-0002 |
| Compound Name: | N-(4-methyl-1,3-benzothiazol-2-yl)-N~2~-(thiophene-2-sulfonyl)valinamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C17 H19 N3 O3 S3 |
| Smiles: | CC(C)C(C(Nc1nc2c(C)cccc2s1)=O)NS(c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1158 |
| logD: | 4.1127 |
| logSw: | -4.1515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.475 |
| InChI Key: | FKIWTGVMEGPKTC-AWEZNQCLSA-N |