Ethyl 1-benzyl-5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropoxy]-2-methylindole-3-carboxylate
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기본 정보
- CAS
433956-78-6- 표준 SMILES
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNC(CO)(CO)CO)cc12- InChIKey
MMZBWNTWESTRDG-UHFFFAOYSA-N- 분자식
- C26H34N2O7
- 평균 분자량
- 486.6 g/mol
- 단동위원소 질량
- 486.23660143
이름 및 식별자
- 우선 이름
- Ethyl 1-benzyl-5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropoxy]-2-methylindole-3-carboxylate
- IUPAC
- ethyl 1-benzyl-5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropoxy]-2-methylindole-3-carboxylate
- 영어명
- ethyl 1-benzyl-5-(2-hydroxy-3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propoxy)-2-methyl-1H-indole-3-carboxylate
- 분자식
- C26H34N2O7
- 분자량
- 486.55736
이름 및 동의어
1-Benzyl-5-[2-hydroxy-3-(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-propoxy]-2-methyl-1H-indole-3-carboxylic acid ethyl esterethyl 1-benzyl-5-(2-hydroxy-3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propoxy)-2-methyl-1H-indole-3-carboxylateMLS001213019CHEMBL1564293HMS2833A07ethyl 1-benzyl-5-(3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}-2-hydroxypropoxy)-2-methyl-1H-indole-3-carboxylateSTK927748AKOS000635381AKOS016316390ethyl 1-benzyl-5-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropoxy]-2-methylindole-3-carboxylateSMR000518957ST50274160
이름 더 보기
AP-124/41029494SR-01000503836SR-01000503836-1433956-78-6ethyl 5-(3-{[1,1-bis(hydroxymethyl)-2-hydroxyethyl]amino}-2-hydroxypropoxy)-2- methyl-1-benzylindole-3-carboxylate
데이터베이스 식별자
물성
구조 계산 물성보충 중
- XLogP
- 1
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 633
관련 반응
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