기본 정보
- CAS
55142-77-3- 표준 SMILES
CSC(O)(CNC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12- InChIKey
PJYCVBMPEOJLKW-UHFFFAOYSA-N- 분자식
- C20H19N3O2S
- 평균 분자량
- 365.5 g/mol
- 단동위원소 질량
- 365.11979803
개요
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide is a member of indoles, a monocarboxylic acid amide and a monothiohemiketal.
이름 및 식별자
- 우선 이름
- N-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamide
- IUPAC
- N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamide
이름 및 동의어
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide(Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethaneCHEBI:59803N-[2-hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl]-1H-indole-3-carboxamideN-(2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl)indole-3-carboxamideN-(2-hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl)-1H-indole-3-carboxamideRefChem:109104355142-77-3INDOLE-3-CARBOXAMIDE, N-(2-(HYDROXY(3-INDOLYL)METHYLTHIO)ETHYL)-(Indolyl-3') carbothioamido-1 (indolyl-3')-methylolthio-2 ethane [French]N-[2-hydroxy-2-(1H-indol-3-yl)-2-methylsulfanylethyl]-1H-indole-3-carboxamideN-(2-(hydroxy(3-indolyl)methylthio)ethyl)indole-3-carboxamide
이름 더 보기
DTXSID80970494Q27126900N-[2-Hydroxy-2-(1H-indol-3-yl)-2-(methylsulfanyl)ethyl]-1H-indole-3-carboximidic acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 519
관련 반응
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