rel-(4R,5R)-N-[3-(4-methylpiperazin-1-yl)propyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of
rel-(4R,5R)-N-[3-(4-methylpiperazin-1-yl)propyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
rel-(4R,5R)-N-[3-(4-methylpiperazin-1-yl)propyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide
Compound characteristics
| Compound ID: | SC77-0808 |
| Compound Name: | rel-(4R,5R)-N-[3-(4-methylpiperazin-1-yl)propyl]-10-oxo-2-(propane-2-sulfonyl)-6-oxa-2,9-diazaspiro[4.5]decane-4-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C19 H35 N5 O5 S |
| Smiles: | CC(C)S(N1C[C@H](C(NCCCN2CCN(C)CC2)=O)[C@]2(C1)C(NCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.1329 |
| logD: | -2.3375 |
| logSw: | -1.4225 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.082 |
| InChI Key: | IEQVFHLUKVGCPQ-APWZRJJASA-N |