ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
기본 정보
- CAS
338409-46-4- 표준 SMILES
CCOC(=O)NC(=O)c1cn(CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O- InChIKey
FKHNPPHNJLPFLV-UHFFFAOYSA-N- 분자식
- C16H15ClF3N5O5
- 평균 분자량
- 449.77 g/mol
이름 및 식별자
- 우선 이름
- ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
- IUPAC
- ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
- 영어명
- Ethyl N-([1-(2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl)carbamate
- 분자식
- C16H15ClF3N5O5
- 분자량
- 449.77
이름 및 동의어
338409-46-4ethyl N-[1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamateethyl N-[1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]carbamateSCHEMBL3869768FKHNPPHNJLPFLV-UHFFFAOYSA-NAKOS005087736ethyl N-{[1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}carbamate3G-960ethylN-[1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl]carbamateEthyl N-([1-(2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl)carbamateCarbamic acid, N-[[1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]carbonyl]-, ethyl ester
데이터베이스 식별자
- CAS
338409-46-4
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 733
물리화학적 성질
- 밀도
- 1.527 · 1.527±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.37 · 7.37±0.20(Predicted)
관련 반응
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