4-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one
Chemical Structure Depiction of
4-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one
4-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-0634 |
| Compound Name: | 4-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyl-6-hydroxy-1,4-diazepan-2-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | C(Cc1nc2ccccc2s1)C(N1CC(CN(Cc2ccccc2)C(C1)=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0986 |
| logD: | 2.0986 |
| logSw: | -2.4685 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.133 |
| InChI Key: | BRLOAFGKNXXDHM-KRWDZBQOSA-N |