기본 정보
- 표준 SMILES
O=C(Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1)C(=O)c1ccco1- InChIKey
COWLRHZXTJBFAH-UHFFFAOYSA-N- 분자식
- C45H36N6O4
- 평균 분자량
- 724.8 g/mol
이름 및 식별자
- 우선 이름
- 2-(2-Furyl)-2-oxo-N-(3-{1-perhydro-2H-pyran-2-yl-5 [1-(triphenylmethyl)(1,2,4-triazol-3-yl)] (1H-indazol-3-yl)} phenyl)acetamide
- IUPAC
- 2-(furan-2-yl)-N-[3-[1-(oxan-2-yl)-5-(1-trityl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-2-oxoacetamide
이름 및 동의어
SCHEMBL5392417COWLRHZXTJBFAH-UHFFFAOYSA-N2-(2-Furyl)-2-oxo-N-(3-{1-perhydro-2H-pyran-2-yl-5 [1-(triphenylmethyl)(1,2,4-triazol-3-yl)] (1H-indazol-3-yl)} phenyl)acetamide2-(2-Furyl)-2-oxo-N-(3-{1-perhydro-2H-pyran-2-yl-5 [1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-(2-Furyl)-2-oxo-N-(3-{1-perhydro-2H-pyran-2-yl-5[1-(triphenylmethyl) (1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-(2-Furyl)-2-oxo-N-(3-{1-perhydro-2H-pyran-2-yl-5[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide
데이터베이스 식별자
- PubChem CID
- 22480206
물성
구조 계산 물성
- XLogP
- 8.6
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,240
관련 반응
8건
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