(2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(tetrahydro-2H-pyran-4-yl)methanol
기본 정보
- 표준 SMILES
Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2C(O)C2CCOCC2)n1- InChIKey
QMZGXNDSYHJJNE-UHFFFAOYSA-N- 분자식
- C25H24F9N5O2
- 평균 분자량
- 597.5 g/mol
- 단동위원소 질량
- 597.17862848
이름 및 식별자
- 우선 이름
- (2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(tetrahydro-2H-pyran-4-yl)methanol
- IUPAC
- [2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanol
이름 및 동의어
(2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(tetrahydro-2H-pyran-4-yl)methanolSCHEMBL1600412(2-{[(3,5-bis-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-methyl}-4-trifluoromethyl-phenyl)-(tetrahydro-pyran-4-yl)-methanol
데이터베이스 식별자
- PubChem CID
- 58968611
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 76.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 818
관련 반응
4건
화합물 노트
불러오는 중…