Methyl n-(5-cyano-2-pyridyl)-n-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]carbamate
기본 정보
- 표준 SMILES
COC(=O)N(C(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C)c1ccc(C#N)cn1- InChIKey
RWHAXOSLRQIKMT-UHFFFAOYSA-N- 분자식
- C26H17Cl2F3N4O4
- 평균 분자량
- 577.3 g/mol
- 단동위원소 질량
- 576.0578949
이름 및 식별자
- 우선 이름
- Methyl n-(5-cyano-2-pyridyl)-n-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]carbamate
- IUPAC
- methyl N-(5-cyano-2-pyridinyl)-N-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]carbamate
이름 및 동의어
methyl n-(5-cyano-2-pyridyl)-n-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoyl]carbamateSCHEMBL1799784methyl N-(5-cyano-2-pyridyl)-N-[4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-yl]-2-methylbenzoyl]carbamate
데이터베이스 식별자
- PubChem CID
- 67165458
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,010
관련 반응
4건
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