기본 정보
- 표준 SMILES
COCC(=O)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1- InChIKey
BXRZESMMJXJJMC-UHFFFAOYSA-N- 분자식
- C42H38N6O3
- 평균 분자량
- 674.8 g/mol
- 단동위원소 질량
- 674.3005391
이름 및 식별자
- 우선 이름
- 2-Methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3yl)]-(1H-indazol-3-yl)}phenyl)acetamide
- IUPAC
- 2-methoxy-N-[3-[1-(oxan-2-yl)-5-(1-trityl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]acetamide
이름 및 동의어
SCHEMBL5391965BXRZESMMJXJJMC-UHFFFAOYSA-N2-methoxy-N-(3-{1-perhydro-2H -pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-methoxy-n-(3-{1-perhydro-2h-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1 h-indazol-3-yl)}phenyl)acetamide2-methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3-yl)](1H-indazol-3-yl)}phenyl)acetamide2-methoxy-n-(3-{1-perhydro-2h-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-(1h-indazol-3-yl)}phenyl)acetamide2-Methoxy-N-(3-{1-perhydro-2H-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3yl)]-(1H-indazol-3-yl)}phenyl)acetamide
데이터베이스 식별자
- PubChem CID
- 22480098
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 96.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,060
관련 반응
9건
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