N-{4-[5-(cyclohexylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{4-[5-(cyclohexylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1)
N-{4-[5-(cyclohexylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0422 |
| Compound Name: | N-{4-[5-(cyclohexylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 484.06 |
| Molecular Formula: | C22 H33 N5 O3 S |
| Salt: | HCl |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCC2(CC1)C(NC1CCCCC1)=NCCN2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3684 |
| logD: | -0.2477 |
| logSw: | -2.7871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.353 |
| InChI Key: | FQAQMGAPXNRPLQ-UHFFFAOYSA-N |