기본 정보
- CAS
853753-22-7- 표준 SMILES
CCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c(=O)n3cccc(C)c3nc21- InChIKey
CIURVYPXLVLDPQ-UHFFFAOYSA-N- 분자식
- C23H24N4O3S
- 평균 분자량
- 436.5 g/mol
이름 및 식별자
- 우선 이름
- 3-((3,4-dimethylphenyl)sulfonyl)-2-imino-10-methyl-1-propyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
- IUPAC
- 5-(3,4-dimethylphenyl)sulfonyl-6-imino-11-methyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- 영어명
- 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-propyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
- 분자식
- C23H24N4O3S
- 분자량
- 436.53
이름 및 동의어
853753-22-73-((3,4-dimethylphenyl)sulfonyl)-2-imino-10-methyl-1-propyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one5-(3,4-dimethylbenzenesulfonyl)-6-imino-11-methyl-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-oneSTK940229AKOS0022218385-(3,4-Dimethylphenyl)sulfonyl-6-imino-11-methyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-oneST50119101VU0605617-1AO-022/43390256F3226-1833Z3360904643-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-propyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
이름 더 보기
5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-[(3,4-dimethylphenyl)sulfonyl]-1,2-dihydro-2-imino-10-methyl-1-propyl-
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-propyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-10-methyl-1-propyl-1,6-dihydropyridin o[2,3-d]pyridino[1,2-a]pyrimidin-5-one
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 1,090
물리화학적 성질
- 끓는 점
- 589 · 589.0±60.0 °C(Predicted)
- 밀도
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.27 · 7.27±0.60(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
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