N-(2-bromoethyl)-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(2-bromoethyl)-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
N-(2-bromoethyl)-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C648-0039 |
| Compound Name: | N-(2-bromoethyl)-1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 446.32 |
| Molecular Formula: | C16 H20 Br N3 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCCC(C1)C(NCC[Br])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0237 |
| logD: | 1.0237 |
| logSw: | -2.49 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.275 |
| InChI Key: | BPXDFFMLSJBDBU-NSHDSACASA-N |