{2-Methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)-1,1-dioxo-2,3-dihydro-1h-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid

HCID 11526569

기본 정보

표준 SMILES
Cc1onc(-c2ccccc2)c1CN1C(c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O
InChIKey
SDOIWWMVDUEKIO-UHFFFAOYSA-N
분자식
C29H25N3O5S
평균 분자량
527.6 g/mol
단동위원소 질량
527.15149208

이름 및 식별자

우선 이름
{2-Methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)-1,1-dioxo-2,3-dihydro-1h-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid
IUPAC
2-[2-methyl-3-[2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]indol-1-yl]acetic acid

이름 및 동의어

SCHEMBL2200974SDOIWWMVDUEKIO-UHFFFAOYSA-N{2-Methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)- 1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid{2-methyl-3-[2-(5-methyl-3-phenyl-isoxazol-4-ylmethyl)-1,1-dioxo-2,3-dihydro-1h-1lambda6-benzo[d]isothiazol-3-yl]-indol-1-yl}-acetic acid

데이터베이스 식별자

PubChem CID
11526569

물성

구조 계산 물성

XLogP
4.5
극성 표면적
114 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
38

관련 반응

4건

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