기본 정보
- 표준 SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)O)c(Cc3ccccc3C(F)(F)F)sc21- InChIKey
KGBBRLNBIWOSOK-UHFFFAOYSA-N- 분자식
- C20H19F3N2O4S
- 평균 분자량
- 440.4 g/mol
이름 및 식별자
- 우선 이름
- 1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid
- IUPAC
- 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acid
이름 및 동의어
1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-5-carboxylic acidSCHEMBL48020411,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]-thieno[2,3-d]pyrimidine-5-carboxylic acid1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[2-(trifluoromethyl)-phenylmethyl]thieno[2,3-d]pyrimidine-5-carboxylic acid1,2,3,4-Tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[2-(trifluoromethyl)phenylmethyl]thieno[2,3-d]pyrimidine-5-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 5282526
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 702
관련 반응
4건
연결된 노트
불러오는 중…