4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
기본 정보
- CAS
373376-46-6- 표준 SMILES
CCOc1ccccc1NC(=O)C1=C(C)NC(=S)NC1c1ccc(N(C)C)cc1- InChIKey
ZBBMHCONVICGAI-UHFFFAOYSA-N- 분자식
- C22H26N4O2S
- 평균 분자량
- 410.5 g/mol
이름 및 식별자
- 우선 이름
- 4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- IUPAC
- 4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
- 영어명
- 4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- 분자식
- C22H26N4O2S
- 분자량
- 410.53
이름 및 동의어
4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide4-(4-(dimethylamino)phenyl)-N-(2-ethoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamideOprea1_363346STL149210AKOS001618238AKOS005749132AKOS021994362AO-364/14480214SR-01000457265SR-01000457265-14-[4-(DIMETHYLAMINO)PHENYL]-N-(2-ETHOXYPHENYL)-6-METHYL-2-SULFANYLIDENE-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE4-[4-(DIMETHYLAMINO)PHENYL]-N-(2-ETHOXYPHENYL)-6-METHYL-2-SULFANYLIDENE-3,4-DIHYDRO-1H-PYRIMIDINE-5-CARBOXAMIDE
이름 더 보기
5-Pyrimidinecarboxamide, 4-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-
6-[4-(dimethylamino)phenyl]-N-(2-ethoxyphenyl)-4-methyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxamide
데이터베이스 식별자
- CAS
373376-46-6
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 97.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 628
물리화학적 성질
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.83 · 11.83±0.70(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…