9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Chemical Structure Depiction of
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0596 |
| Compound Name: | 9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 505.12 |
| Molecular Formula: | C26 H36 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1cccc(CNC2C3(CCN(CC3)S(c3ccc(cc3)C(C)(C)C)(=O)=O)NCCN=2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0692 |
| logD: | 1.2949 |
| logSw: | -4.6391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | RBMWLQQTYJGFRU-UHFFFAOYSA-N |