Unii-H55rrh6H7K
기본 정보
- CAS
575467-47-9- 표준 SMILES
O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1CN1CCCC1- InChIKey
LIWQRVPGHLYPQJ-JEJOPICUSA-N- 분자식
- C19H23F3N2O
- 평균 분자량
- 352.4 g/mol
- 단동위원소 질량
- 352.17624785
이름 및 식별자
- 우선 이름
- Unii-H55rrh6H7K
- IUPAC
- (E)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
이름 및 동의어
UNII-H55RRH6H7K575467-47-9H55RRH6H7KCHEMBL218790NNC0038-0000-1202NNC-0038-0000-12021-((S)-2-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-3-(4-trifluoromethyl-phenyl)-propenone(2E)-1-((2S)-2-((Pyrrolidin-1-yl)methyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one2-Propen-1-one, 1-((2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl)-3-(4-(trifluoromethyl)phenyl)-, (2E)-Pyrrolidine, 1-((2E)-1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)-2-(1-pyrrolidinylmethyl)-, (2S)-2-Propen-1-one, 1-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]-3-[4-(trifluoromethyl)phenyl]-, (2E)-NNC 38-1202
이름 더 보기
NNC 0038-0000-1202SCHEMBL14409596LIWQRVPGHLYPQJ-JEJOPICUSA-NBDBM501931991-[2-(Pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one(E)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one(S)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one(S,E)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
데이터베이스 식별자
- CAS
575467-47-9- PubChem CID
- 11602780
- ChEMBL
CHEMBL218790- UNII
- H55RRH6H7K
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 478
관련 반응
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