기본 정보
- 표준 SMILES
COC(=O)CCc1c(COC(C)=O)[nH]c(C(=O)OCc2ccccc2)c1C- InChIKey
WTRXRMOVEGCOPF-UHFFFAOYSA-N- 분자식
- C20H23NO6
- 평균 분자량
- 373.4 g/mol
이름 및 식별자
- 우선 이름
- Benzyl 5-[(acetyloxy)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
- IUPAC
- benzyl 5-(acetyloxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
이름 및 동의어
Benzyl 5-[(acetyloxy)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylateOprea1_212615MLS001198483SCHEMBL7686289CHEMBL1502325HMS2872A13STK674963AKOS005593664benzyl 5-(acetoxymethyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1h-pyrrole-2-carboxylate859-38-1SMR000559146ST102535
이름 더 보기
ST4043653SR-01000522857SR-01000522857-12-acetoxymethyl-5-benzyloxycarbonyl-4-methyl-3 -methoxycarbonylethylpyrrole2-acetoxymethyl-5-benzyloxycarbonyl-4-methyl-3-methoxycarbonylethylpyrrole2-acetoxymethyl-5benzyloxycarbonyl-4-methyl-3methoxycarbonylethylpyrroleBenzyl-2-acetoxymethyl-3-(2-methoxycarbonylethyl)-4-methylpyrrole-5-carboxylateBenzyl 5-[(acetyloxy)methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate #
데이터베이스 식별자
- PubChem CID
- 563951
- ChEMBL
CHEMBL1502325- Nikkaji
- J1.097.442I
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 94.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 517
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11건
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