5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one
기본 정보
- 표준 SMILES
Cc1cc(SC2=C(O)CC(CCc3ccc(O)cc3)(C3CCCC3)OC2=O)c(C(C)(C)C)cc1N- InChIKey
ZEBFKFGJWHOOST-UHFFFAOYSA-N- 분자식
- C29H37NO4S
- 평균 분자량
- 495.7 g/mol
이름 및 식별자
- 우선 이름
- 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one
- IUPAC
- 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one
이름 및 동의어
CHEMBL37541SCHEMBL4319566SCHEMBL30583206BDBM50024670AG-21033PD0406583-[4-Amino-2-(tert-butyl)-5-methylphenylthio]-4-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-6-cyclopentyl-5,6-dihydro-2H-pyran-2-one5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3H-pyran-6-one
데이터베이스 식별자
- PubChem CID
- 54713196
- ChEMBL
CHEMBL37541
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 778
관련 반응
1건
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