2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)acetamide
기본 정보
- CAS
1219903-07-7- 표준 SMILES
CC(C)c1cc(=O)n(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)cn1- InChIKey
BCYBIZPQLZMKIW-UHFFFAOYSA-N- 분자식
- C19H21N5O3S
- 평균 분자량
- 399.5 g/mol
- 단동위원소 질량
- 399.13651072
이름 및 식별자
- 우선 이름
- 2-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)acetamide
- IUPAC
- 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
이름 및 동의어
1219903-07-74-(1-Methylethyl)-6-oxo-N-[2-[6-oxo-3-(2-thienyl)-1(6H)-pyridazinyl]ethyl]-1(6H)-pyrimidineacetamideDTXSID001113470AKOS0246421592-(4-isopropyl-6-oxopyrimidin-1(6H)-yl)-N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)acetamideF2342-01731(6H)-Pyrimidineacetamide, 4-(1-methylethyl)-6-oxo-N-[2-[6-oxo-3-(2-thienyl)-1(6H)-pyridazinyl]ethyl]-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide2-[6-Oxo-4-(propan-2-yl)pyrimidin-1(6H)-yl]-N-{2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]ethyl}acetamideN-{2-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]ethyl}-2-[6-oxo-4-(propan-2-yl)-1,6-dihydropyrimidin-1-yl]acetamide
데이터베이스 식별자
- CAS
1219903-07-7- PubChem CID
- 49671277
- DTXSID
DTXSID001113470
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 772
관련 반응
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