기본 정보
- CAS
331235-84-8- 표준 SMILES
CC1=C(C(=O)Nc2ccccc2)C(c2ccc(O)cc2)NC(=S)N1- InChIKey
JXHMDIDAVWEGIE-UHFFFAOYSA-N- 분자식
- C18H17N3O2S
- 평균 분자량
- 339.4 g/mol
이름 및 식별자
- 우선 이름
- 4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- IUPAC
- 4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- 영어명
- 4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
- 분자식
- C18H17N3O2S
- 분자량
- 339.41
이름 및 동의어
331235-84-84-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamideZINC01299585STK846822ZINC00181542AKOS000631825AKOS005627372AKOS0219889864-(4-HYDROXYPHENYL)-6-METHYL-N-PHENYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDEST50336968AG-690/36275059
이름 더 보기
5-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-
SR-01000429495SR-01000429495-1[6-(4-hydroxyphenyl)-4-methyl-2-thioxo(1,3,6-trihydropyrimidin-5-yl)]-N-benzam ide4-(4-hydroxyphenyl)-6-methyl-N-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide6-(4-hydroxyphenyl)-4-methyl-N-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
데이터베이스 식별자
- CAS
331235-84-8- Nikkaji
- J3.320.854E
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 520
물리화학적 성질
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.66 · 9.66±0.30(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…