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

HCID 11950820

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

관련 반응

38건

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