9-(4-tert-butylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0573 |
| Compound Name: | 9-(4-tert-butylbenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 505.12 |
| Molecular Formula: | C26 H36 N4 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(CNC2C3(CCN(CC3)S(c3ccc(cc3)C(C)(C)C)(=O)=O)NCCN=2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.804 |
| logD: | 1.0298 |
| logSw: | -4.4037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | TYQBAPQIXFEZQH-UHFFFAOYSA-N |