기본 정보
- 표준 SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](NCc2ccnc3ccccc23)C[C@H]1Cc1ccccc1- InChIKey
QPXROMJDFPQBAT-IZZNHLLZSA-N- 분자식
- C31H27F6N3O
- 평균 분자량
- 571.6 g/mol
이름 및 식별자
- 우선 이름
- {(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-bis-trifluoromethyl-phenyl)-methanone
- IUPAC
- [(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
이름 및 동의어
CHEMBL416983{(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-bis-trifluoromethyl-phenyl)-methanoneSCHEMBL8459963BDBM50287409(2R*,4S*)-2-benzyl-1-(3,5-bis-(trifluoromethyl)-benzoyl)-N-(4-quinolylmethyl)-4-piperidinamine(2R,4S)-2-benzyl-1(3,5-bis-(trifluoromethyl)benzoyl)-N-(4-quinolylmethyl)-4-piperidinamine(2R,4S)-2-benzyl-1-(3,5-bis-(trifluoromethyl)benzoyl)-N-(4-quinolylmethyl)-4-piperidinamine(2R,4S)-2-benzyl-1-(3,5-bis-(trifluoromethyl)benzoyl)-N-(4-quinolylmethyl)4-piperidinamine
데이터베이스 식별자
- PubChem CID
- 10370818
- ChEMBL
CHEMBL416983
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 45.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 838
관련 반응
7건
화합물 노트
불러오는 중…