기본 정보
- CAS
302561-50-8- 표준 SMILES
CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OCCSCC)cc1- InChIKey
TXIIRLOSSKTHEA-UHFFFAOYSA-N- 분자식
- C18H24N2O4S
- 평균 분자량
- 364.5 g/mol
- 단동위원소 질량
- 364.14567842
이름 및 식별자
- 우선 이름
- 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- 2-(ethylsulfanyl)ethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- 분자식
- C18H24N2O4S
- 분자량
- 364.46
이름 및 동의어
302561-50-82-ethylsulfanylethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate2-(ethylsulfanyl)ethyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateMFCD00381782STK070335STK651829AKOS000637762AKOS005582662AKOS021985237ZINC000004017182EU-0001861ST50218172
이름 더 보기
5-Pyrimidinecarboxylic acid, 4-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester
AG-690/33478064CCSCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(cc1)OCCSR-01000402918SR-01000402918-1CCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCSCC2(ethylsulfanyl)ethyl4(4ethoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate2(ETHYLSULFANYL)ETHYL6(4ETHOXYPHENYL)2HYDROXY4METHYL16DIHYDROPYRIMIDINE5CARBOXYLATE2(ethylthio)ethyl4(4ethoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
데이터베이스 식별자
- CAS
302561-50-8- PubChem CID
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 501
화학 및 산업
공급사4 곳
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