기본 정보
- 표준 SMILES
CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21- InChIKey
FJLGEFLZQAZZCD-VAWYXSNFSA-N- 분자식
- C24H26FNO4
- 평균 분자량
- 411.5 g/mol
개요
7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid is a member of pyrroles.
이름 및 식별자
- 우선 이름
- (6E)-7-(3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid
- IUPAC
- (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid
이름 및 동의어
CHEBI:38562(6E)-7-(3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acidRefChem:9348821025085-49-77-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoic acidSCHEMBL2848CHEMBL2220442CHEBI:95159(3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acidBDBM50622531EN300-295528
이름 더 보기
Q27117899(6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1h-indol-2-yl]-3,5-dihydroxyhept-6-enoicacid7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid, sodium salt
데이터베이스 식별자
- PubChem CID
- 5353627
- ChEBI
CHEBI:95159
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 82.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 590
실험 및 물리화학적 성질
DrugsPharmaceuticals
관련 반응
10건
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