4-[4-(1,3-benzothiazol-2-yl)butanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one
Chemical Structure Depiction of
4-[4-(1,3-benzothiazol-2-yl)butanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one
4-[4-(1,3-benzothiazol-2-yl)butanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-0458 |
| Compound Name: | 4-[4-(1,3-benzothiazol-2-yl)butanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | C(CC(N1CC(CN(Cc2ccccc2)C(C1)=O)O)=O)Cc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4235 |
| logD: | 2.4235 |
| logSw: | -2.6053 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.133 |
| InChI Key: | MLQSHMGJHQVNLI-SFHVURJKSA-N |