기본 정보
- 표준 SMILES
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12- InChIKey
UHYGTCSPRAOTBE-UHFFFAOYSA-N- 분자식
- C30H33ClN2O3S
- 평균 분자량
- 537.1 g/mol
이름 및 식별자
- 우선 이름
- 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
- IUPAC
- 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(pyridin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
이름 및 동의어
CHEMBL38958SCHEMBL9305053UHYGTCSPRAOTBE-UHFFFAOYSA-NBDBM500802503-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acid3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropionic acid3-[1-(4-Chlorobenzyl)-3-(t-butylthio)-5-(pyridin-2-ylmethyoxy)indol-2-yl]-2,2-dimethylpropanoic acid3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid
데이터베이스 식별자
- PubChem CID
- 9828630
- ChEMBL
CHEMBL38958- Nikkaji
- J905.672F
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 89.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 752
관련 반응
3건
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