N-[4-(5-{[(3,5-difluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[(3,5-difluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide
N-[4-(5-{[(3,5-difluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L676-0403 |
| Compound Name: | N-[4-(5-{[(3,5-difluorophenyl)methyl]amino}-1,4,9-triazaspiro[5.5]undec-4-ene-9-sulfonyl)phenyl]acetamide |
| Molecular Weight: | 528.02 |
| Molecular Formula: | C23 H27 F2 N5 O3 S |
| Salt: | HCl |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCC2(CC1)C(NCc1cc(cc(c1)F)F)=NCCN2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3204 |
| logD: | -1.4539 |
| logSw: | -2.9798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.628 |
| InChI Key: | PKLICAXVCNSRAS-UHFFFAOYSA-N |