기본 정보
- 표준 SMILES
Cc1ccc(C(=O)NC(C)C)cc1-c1nc(S(C)=O)nc2c1CNC(=O)N2c1c(F)cccc1F- InChIKey
GQIRARUWITWNLD-UHFFFAOYSA-N- 분자식
- C24H23F2N5O3S
- 평균 분자량
- 499.5 g/mol
이름 및 식별자
- 우선 이름
- 3-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methylethyl)benzamide
- IUPAC
- 3-[8-(2,6-difluorophenyl)-2-methylsulfinyl-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-propan-2-ylbenzamide
이름 및 동의어
SCHEMBL3300305GQIRARUWITWNLD-UHFFFAOYSA-N3-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7, 8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methylethyl)benzamide3-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methylethyl)-benzamide3-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methylethyl)benzamide
데이터베이스 식별자
- PubChem CID
- 11950820
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 810
관련 반응
38건
화합물 노트
불러오는 중…