(R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide
기본 정보
- CAS
2087874-91-5- 표준 SMILES
Cn1c(=O)cc(N2CCC[C@@H](NC=O)C2)n(Cc2cc(F)ccc2C#N)c1=O- InChIKey
XFVNAUDBVMZBCG-MRXNPFEDSA-N- 분자식
- C19H20FN5O3
- 평균 분자량
- 385.4 g/mol
- 단동위원소 질량
- 385.15501768
이름 및 식별자
- 우선 이름
- (R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide
- IUPAC
- N-[(3R)-1-[3-[(2-cyano-5-fluorophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]formamide
- 영어명
- (R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo- 1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide
- 분자식
- C19H20FN5O3
- 분자량
- 385.39
이름 및 동의어
2087874-91-5(R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamideCPD5HT7EWATrelagliptin Impurity 105CS-0165155(R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide? (Trelagliptin Impurity pound(c)Formamide, N-[(3R)-1-[3-[(2-cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]-N-[(3R)-1-[3-[(2-Cyano-5-fluorophenyl)methyl]-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]-3-piperidinyl]formamideTrelagliptin-13Trelagliptin Impurity JXTrelagliptin Impurity 70(R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo- 1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide
이름 더 보기
(R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide? (Trelagliptin Impurity）Trelagliptin Impurity 12/(R)-N-(1-(3-(2-cyano-5-fluorobenzyl)-1-methyl-2,6-dioxo- 1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-3-yl)formamide
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 96.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 718
물리화학적 성질
- 끓는 점
- 604 · 604.0±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 15.67 · 15.67±0.20(Predicted)
관련 반응
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