N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-1-methyl-imidazole-4-sulfonamide
기본 정보
- CAS
174483-32-0- 표준 SMILES
CCCC1(CCc2ccccc2)CC(O)=C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1- InChIKey
LRGGJJZCDSKECU-UHFFFAOYSA-N- 분자식
- C29H35N3O5S
- 평균 분자량
- 537.7 g/mol
- 단동위원소 질량
- 537.2297424
이름 및 식별자
- 우선 이름
- N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-1-methyl-imidazole-4-sulfonamide
- IUPAC
- N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-1-methylimidazole-4-sulfonamide
이름 및 동의어
CHEMBL21188N-[3-[1-(4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl)propyl]phenyl]-1-methyl-imidazole-4-sulfonamideN-[3-[1(R or S)-(4-Hydroxy-2-oxo-6-n-propyl-6(R or S)-phenethyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl]-1-methyl-1H-imidazole-4-sulfonamideN-[3-[1-(4-Hydroxy-2-oxo-6-phenylethyl-6-propyl-5,6-dihydro-2H-pyran-3-yl)-propyl]-phenyl]-1-methyl-1H-imidazole-4-sulfonamide174483-32-0SCHEMBL7403572DTXSID80938514174484-54-91H-Imidazole-4-sulfonamide, N-[3-[1-[5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-1-methyl-N-(3-{1-[6-Hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl}phenyl)-1-methyl-1H-imidazole-4-sulfonamide
데이터베이스 식별자
- CAS
174483-32-0- PubChem CID
- 54687773
- DTXSID
DTXSID80938514- ChEMBL
CHEMBL21188- Nikkaji
- J790.726E
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 942
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