기본 정보
- 표준 SMILES
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21- InChIKey
PFAYCUAUBOGVDX-AWEZNQCLSA-N- 분자식
- C20H20N2O5S
- 평균 분자량
- 400.4 g/mol
이름 및 식별자
- 우선 이름
- 1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
- IUPAC
- 1-methyl-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
이름 및 동의어
1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione1-methyl-5-(((2S)-2-(phenoxymethyl)pyrrolidin-1-yl)sulfonyl)-2,3-dihydro-1H-indole-2,3-dioneRefChem:434416CHEMBL293034(s)-1-methyl-5-[1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl]isatin(S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatinIsatin Sulfonamide 31IST-2SCHEMBL4156846BDBM10320PFAYCUAUBOGVDX-AWEZNQCLSA-N
이름 더 보기
DB08213PD004638NS00069443Q27097439(S)-1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-1H-indole-2,3-dione1-methyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
데이터베이스 식별자
- PubChem CID
- 5288850
- ChEMBL
CHEMBL293034- Nikkaji
- J1.319.415G
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 92.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 713
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
관련 반응
15건
화합물 노트
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