9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Chemical Structure Depiction of
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine
Compound characteristics
| Compound ID: | L676-0599 |
| Compound Name: | 9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine |
| Molecular Weight: | 509.09 |
| Molecular Formula: | C25 H33 F N4 O2 S |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCC2(CC1)C(NCc1cccc(c1)F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5447 |
| logD: | 0.7705 |
| logSw: | -4.2816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | KQEJTIZSUPCWDC-UHFFFAOYSA-N |