기본 정보
- CAS
843623-54-1- 표준 SMILES
COc1ccc(CCn2c(=N)c(C(=O)NCC(C)C)cc3c(=O)n4cccc(C)c4nc32)cc1OC- InChIKey
ICQBPKNMXVHCTA-UHFFFAOYSA-N- 분자식
- C27H31N5O4
- 평균 분자량
- 489.6 g/mol
이름 및 식별자
- 우선 이름
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
- IUPAC
- 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-N-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- 영어명
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
- 분자식
- C27H31N5O4
- 분자량
- 489.57
이름 및 동의어
843623-54-11-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-N-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamideSTK518058AKOS0022510767-[2-(3,4-Dimethoxyphenyl)ethyl]-6-imino-11-methyl-N-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamideAO-022/43454822Z12136808641-(3,4-dimethoxyphenethyl)-2-imino-N-isobutyl-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-N-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dihydro-2-imino-10-methyl-N-(2-methylpropyl)-5-oxo-
데이터베이스 식별자
- CAS
843623-54-1
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.12 · 12.12±0.20(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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