ethyl 4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
기본 정보
- CAS
955569-63-8- 표준 SMILES
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1- InChIKey
GNIUTQSNBMNGPV-UHFFFAOYSA-N- 분자식
- C21H25N5O5S
- 평균 분자량
- 459.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- ethyl 4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- 분자식
- C21H25N5O5S
- 분자량
- 459.5187
이름 및 동의어
ethyl 4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateAKOS003405739ethyl 4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylateAQ-090/41705207955569-63-8ethyl 4-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
데이터베이스 식별자
- CAS
955569-63-8
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 772
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…