기본 정보
- CAS
627053-27-4- 표준 SMILES
COc1cc2c(cc1OC)CN(C(=O)c1sc3nc4c(c(C(F)(F)F)c3c1N)CCC4)CC2- InChIKey
OICVWOHZJNQFKR-UHFFFAOYSA-N- 분자식
- C23H22F3N3O3S
- 평균 분자량
- 477.5 g/mol
이름 및 식별자
- 우선 이름
- (3-Amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
- IUPAC
- [6-amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
- 영어명
- 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-3-ylamine
- 분자식
- C23H22F3N3O3S
- 분자량
- 477.5
이름 및 동의어
627053-27-4(3-Amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone[6-Amino-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-5-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraen-6-amine[3-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl][6,7-dimethoxy-3,4-dihydro-2(1H)-isoq[3-amino-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanoneAM-807/41624595STK850417AKOS003598923SS-02452-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-3-ylamineST039562
이름 더 보기
Methanone, [3-amino-6,7-dihydro-4-(trifluoromethyl)-5H-cyclopenta[b]thieno[3,2-e]pyridin-2-yl](3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 743
화학 및 산업
공급사1 곳
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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