기본 정보
- CAS
147241-80-3- 표준 SMILES
CN(C)CCOc1ccc2c(c1)OC(C)(C)CC2c1ccc(C(F)(F)F)cc1- InChIKey
FRYSRIHJRHPXIK-UHFFFAOYSA-N- 분자식
- C22H26F3NO2
- 평균 분자량
- 393.4 g/mol
- 단동위원소 질량
- 393.19156356
이름 및 식별자
- 우선 이름
- 2-((3,4-Dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine
- IUPAC
- 2-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine
이름 및 동의어
2-((3,4-Dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamineRefChem:908975BRL-16657 free base147241-80-3UNII-I14G374COHI14G374COHBRL 16657- parentEthanamine, 2-((3,4-dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-2-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamineDTXSID2043957SCHEMBL11364650Q27280234
이름 더 보기
2,2-dimethyl-7-(2-dimethylaminoethoxy)-4-(4-trifluoromethylphenyl)chroman2-({2,2-Dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-N,N-dimethylethan-1-amine
데이터베이스 식별자
- CAS
147241-80-3- PubChem CID
- 42990
- DTXSID
DTXSID2043957- UNII
- I14G374COH
- Nikkaji
- J535.375K
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 21.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 501
관련 반응
2건
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