9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)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-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | L676-0571 |
| Compound Name: | 9-(4-tert-butylbenzene-1-sulfonyl)-N-[(3,5-difluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undec-4-en-5-amine--hydrogen chloride (1/1) |
| Molecular Weight: | 527.08 |
| Molecular Formula: | C25 H32 F2 N4 O2 S |
| Salt: | HCl |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCC2(CC1)C(NCc1cc(cc(c1)F)F)=NCCN2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9136 |
| logD: | 1.1394 |
| logSw: | -4.5405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.366 |
| InChI Key: | DUHAPCFRSMROTB-UHFFFAOYSA-N |