4-(3,4-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
기본 정보
- CAS
331676-26-7- 표준 SMILES
COc1ccc(C2NC(=S)NC(C)=C2C(=O)Nc2cccc(C)c2)cc1OC- InChIKey
KVUQGXGTYUDMFP-UHFFFAOYSA-N- 분자식
- C21H23N3O3S
- 평균 분자량
- 397.5 g/mol
이름 및 식별자
- 우선 이름
- 4-(3,4-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- IUPAC
- 4-(3,4-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- 영어명
- 4-(3,4-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
- 분자식
- C21H23N3O3S
- 분자량
- 397.49
이름 및 동의어
4-(3,4-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide4-(3,4-dimethoxyphenyl)-6-methyl-N-(3-methylphenyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamideOprea1_445071AKOS000631492ST50337328AG-690/11062036[6-(3,4-dimethoxyphenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-(3 -methylphenyl)carboxamide331676-26-75-Pyrimidinecarboxamide, 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-N-(3-methylphenyl)-2-thioxo-
데이터베이스 식별자
- CAS
331676-26-7
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 624
물리화학적 성질
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.21 · 11.21±0.70(Predicted)
관련 반응
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