기본 정보
- CAS
172732-69-3- 표준 SMILES
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(Cl)c1- InChIKey
NFFDUBFVBHVZQY-UHFFFAOYSA-N- 분자식
- C21H19ClN2O5
- 평균 분자량
- 414.8 g/mol
- 단동위원소 질량
- 414.09824939
이름 및 식별자
- 우선 이름
- [[3-(2-amino-1,2-dioxoethyl)1-[(3-chlorophenyl)methyl]-2-ethyl-1H-indol-4-yl]oxy]acetic acid
- IUPAC
- 2-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-oxamoylindol-4-yl]oxyacetic acid
이름 및 동의어
CHEMBL345986SCHEMBL818585NFFDUBFVBHVZQY-UHFFFAOYSA-NDTXSID101119902BDBM50055367[[3-(2-amino-1,2-dioxoethyl)1-[(3-chlorophenyl)methyl]-2-ethyl-1H-indol-4-yl]oxy]acetic acid172732-69-3[3-Aminooxalyl-1-(3-chloro-benzyl)-2-ethyl-1H-indol-4-yloxy]-acetic acid({3-[Amino(oxo)acetyl]-1-[(3-chlorophenyl)methyl]-2-ethyl-1H-indol-4-yl}oxy)acetic acid[[3-(2-amino-1,2-dioxoethyl)1-[(3-chlorophenyl)methyl]-2-ethyl-1H-indol -4-yl]oxy]acetic acid[[3-(2-amino-l,2-dioxoethyl)1-[(3-chlorophenyl)methyl]-2-ethyl-1H-indol-4-yl]oxy]acetic acid2-[[3-(2-Amino-2-oxoacetyl)-1-[(3-chlorophenyl)methyl]-2-ethyl-1H-indol-4-yl]oxy]acetic acid
데이터베이스 식별자
- CAS
172732-69-3- PubChem CID
- 9801920
- DTXSID
DTXSID101119902- ChEMBL
CHEMBL345986
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 630
관련 반응
6건
화합물 노트
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