기본 정보
- CAS
144871-77-2- 표준 SMILES
CCCn1c(N)c(NC(=O)C(C)Cc2ccc(OCC(=O)OC(C)(C)C)cc2)c(=O)n(CCC)c1=O- InChIKey
SGBFCKZZYXUQAT-UHFFFAOYSA-N- 분자식
- C26H38N4O6
- 평균 분자량
- 502.6 g/mol
- 단동위원소 질량
- 502.27913494
이름 및 식별자
- 우선 이름
- Tert-butyl 2-[4-[3-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)amino]-2-methyl-3-oxopropyl]phenoxy]acetate
- IUPAC
- tert-butyl 2-[4-[3-[(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)amino]-2-methyl-3-oxopropyl]phenoxy]acetate
- 영어명
- Acetic acid, [4-[3-[(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)amino]-2-methyl-3-oxopropyl]phenoxy]-, 1,1-dimethylethyl ester
- 분자식
- C26H38N4O6
- 분자량
- 502.6
이름 및 동의어
SGBFCKZZYXUQAT-UHFFFAOYSA-N(+)-2-[[4-[3-[(6-Amino-1-propyl-1,2,3,4-tetrahydro-3-propyl-2,4-dioxo-5-pyrimidinyl)amino]-2-methyl-3-oxopropyl]phenyl]oxy]-acetic acid, 1,1-dimethylethyl ester(-)-2-[[4-[3-[(6-Amino-1-propyl-1,2,3,4-tetrahydro-3-propyl-2,4-dioxo-5-pyrimidinyl)amino]-2-methyl-3-oxopropyl]phenyl]oxy]-acetic acid, 1,1-dimethylethyl ester2-[[4-[3-[(6-Amino-1-propyl-1,2,3,4-tetrahydro-3-propyl-2,4-dioxo-5-pyrimidinyl)amino]-2-methyl-3-oxopropyl]phenyl]oxy]-acetic acid, 1,1-dimethylethyl esterAcetic acid, 2-[4-[3-[(6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1,3-dipropyl-5-pyrimidinyl)amino]-2-methyl-3-oxopropyl]phenoxy]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
144871-77-2- PubChem CID
- 45118932
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 842
화학 및 산업
공급사1 곳
CHEMSTEP[email protected]
관련 반응
6건
화합물 노트
불러오는 중…