(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-[2-(2-methanesulfinyl-ethyl)-2H-tetrazol-5-yl]-amine
기본 정보
- 표준 SMILES
COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(CCS(C)=O)n1- InChIKey
BOJILAHPOZWZCW-UHFFFAOYSA-N- 분자식
- C31H30F9N5O2S
- 평균 분자량
- 707.7 g/mol
- 단동위원소 질량
- 707.19764985
이름 및 식별자
- 우선 이름
- (3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-[2-(2-methanesulfinyl-ethyl)-2H-tetrazol-5-yl]-amine
- IUPAC
- N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-2-(2-methylsulfinylethyl)tetrazol-5-amine
이름 및 동의어
(3,5-bis-trifluoromethyl-benzyl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-[2-(2-methanesulfinyl-ethyl)-2H-tetrazol-5-yl]-amineSCHEMBL1587562
데이터베이스 식별자
- PubChem CID
- 86626892
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 92.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,030
관련 반응
5건
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