기본 정보
- CAS
851916-40-0- 표준 SMILES
CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C=C[C@@H](N)C1- InChIKey
UXRPCSMDWRYDEY-PBHICJAKSA-N- 분자식
- C18H22F3N3O
- 평균 분자량
- 353.4 g/mol
- 단동위원소 질량
- 353.17149682
이름 및 식별자
- 우선 이름
- ((1S,4S)-4-Amino-1-isopropylcyclopent-2-en-1-yl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)methanone
- IUPAC
- [(1S,4S)-4-amino-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
- 영어명
- ((1S,4S)-4-aMino-1-isopropylcyclopent-2-enyl)(3-(trifluoroMethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)Methanone
- 분자식
- C18H22F3N3O
- 분자량
- 353.3819896
이름 및 동의어
851916-40-0((1S,4S)-4-Amino-1-isopropylcyclopent-2-en-1-yl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)methanone((1s,4s)-4-amino-1-isopropylcyclopent-2-enyl)(3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5h)-yl)methanoneSCHEMBL2211030SCHEMBL30590185AKOS015924624DB-344449(1S,4S)-4-isopropyl-4-{[3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopent-2-en-1-amine[(1S,4S)-4-amino-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanoneRYXDGBOSYFLWFW-YSEASCLGSA-N(1S,4S)-4-Amino-1-isopropyl-2-cyclopenten-1-yl][3-(trifluorometh yl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]methanone((1S,4S)-4-aMino-1-isopropylcyclopent-2-enyl)(3-(trifluoroMethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl)Methanone (dihydrochloride)
데이터베이스 식별자
- CAS
851916-40-0- PubChem CID
- 60122317
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 59.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 548
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