2-ethyl-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl)quinazoline-4(3H)-one
기본 정보
- 표준 SMILES
CCc1nc2ccccc2c(=O)n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
YCEVCAXAPUAXJE-UHFFFAOYSA-N- 분자식
- C23H25F3N4O
- 평균 분자량
- 430.5 g/mol
- 단동위원소 질량
- 430.19804592
이름 및 식별자
- 우선 이름
- 2-ethyl-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl)quinazoline-4(3H)-one
- IUPAC
- 2-ethyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]quinazolin-4-one
이름 및 동의어
2-ethyl-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl)quinazoline-4(3H)-oneSCHEMBL8745872-ethyl-3-(2-(4-(3-(trifluoromethyl) phenyl)piperazine-1-yl)ethyl)quinazoline-4(3H)-one2-ethyl-3-(2-(4-(3-(trifluoromethyl)phenyl) piperazine-1-yl)ethyl)quinazoline-4(3H)-one2-ethyl-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl) quinazoline-4 (3H)-one2-ethyl-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazine-1-yl)ethyl)quinazoline-4 (3H)-one
데이터베이스 식별자
- PubChem CID
- 66825186
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 39.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 660
관련 반응
15건
화합물 노트
불러오는 중…