기본 정보
- CAS
200711-10-0- 표준 SMILES
Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(OCc3ccccn3)nc1)CC2- InChIKey
KLAHZRONIHBPPB-UHFFFAOYSA-N- 분자식
- C22H19F3N4O2
- 평균 분자량
- 428.4 g/mol
이름 및 식별자
- 우선 이름
- SB-247853
- IUPAC
- 5-methyl-N-[6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
이름 및 동의어
SB-247853JBJ4VCT98Y200711-10-0SB2478535-Methyl-N-(6-(2-pyridylmethoxy)-3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamide1H-Indole-1-carboxamide, 2,3-dihydro-5-methyl-N-(6-(2-pyridinylmethoxy)-3-pyridinyl)-6-(trifluoromethyl)-2,3-Dihydro-5-methyl-N-(6-(2-pyridinylmethoxy)-3-pyridinyl)-6-(trifluoromethyl)-1H-indole-1-carboxamideRefChem:181569UNII-JBJ4VCT98YCHEMBL54719SCHEMBL3886777BDBM50410477
이름 더 보기
EBC-13045L017445Z30415343255-Methyl-1-[2-(pyridin-2-ylmethyloxy)pyridin-5-ylcarbamoyl]-6-trifluoromethylindoline5-methyl-N-[6-(pyridin-2-ylmethoxy)pyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
데이터베이스 식별자
- CAS
200711-10-0- PubChem CID
- 9888804
- ChEMBL
CHEMBL54719- UNII
- JBJ4VCT98Y
- Nikkaji
- J1.363.544G
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 620
관련 반응
1건
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