(+)-5-Methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro 2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy)carbonyl]pyrimidine
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기본 정보
- 표준 SMILES
COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)N1- InChIKey
LWHCRBXLKDBXCZ-UHFFFAOYSA-N- 분자식
- C21H17F2N3O8
- 평균 분자량
- 477.4 g/mol
이름 및 식별자
- 우선 이름
- (+)-5-Methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro 2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy)carbonyl]pyrimidine
- IUPAC
- 5-O-methyl 3-O-(4-nitrophenyl) 4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxylate
이름 및 동의어
SCHEMBL6196834LWHCRBXLKDBXCZ-UHFFFAOYSA-N(+)-5-Methoxycarbonyl-4-Methoxymethyl-1,2,3,6-Tetrahydro -2-oxo-6-(3,4-Difluorophenyl)-1-[(4-Nitrophenyloxy) Carbonyl] Pyr imidine(+)-5-methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro -2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy)carbo nyl]pyrimidine(+)-5-methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro 2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy)carbonyl]pyrimidine(+)-5-Methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro-2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy) carbonyl]pyrimidine(+)-5-Methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro-2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy)-carbonyl]pyrimidine(+)-5-methoxycarbonyl-4-methoxymethyl-1,2,3,6-tetrahydro-2-oxo-6-(3,4-difluorophenyl)-1-[(4-nitrophenyloxy)carbonyl ]pyrimidine(+)-5-METHOXYCARBONYL-4-METHOXYMETHYL-1,2,3,6-TETRAHYDRO-2-OXO-6-(3,4-DIFLUOROPHENYL)-1-[(4-NITROPHENYLOXY)CARBONYL]PYRIMIDINE6-(3,4-difluorophenyl)-4-methoxymethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1,5-dicarboxylic acid 5-methyl ester 1-(4-nitrophenyl)ester
데이터베이스 식별자
- PubChem CID
- 10672264
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 840
관련 반응
9건
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