N-{4-[5-(cycloheptylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{4-[5-(cycloheptylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1)
N-{4-[5-(cycloheptylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0423 |
| Compound Name: | N-{4-[5-(cycloheptylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl]phenyl}acetamide--hydrogen chloride (1/1) |
| Molecular Weight: | 498.09 |
| Molecular Formula: | C23 H35 N5 O3 S |
| Salt: | HCl |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCC2(CC1)C(NC1CCCCCC1)=NCCN2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8643 |
| logD: | 0.6275 |
| logSw: | -3.4991 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.684 |
| InChI Key: | ZWDXWRBUVRHMLG-UHFFFAOYSA-N |