N-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
기본 정보
- CAS
6070-70-8- 표준 SMILES
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)NCCO- InChIKey
DPQYUIDPBNGWJK-UHFFFAOYSA-N- 분자식
- C20H21N3O3S2
- 평균 분자량
- 415.5 g/mol
- 단동위원소 질량
- 415.10243389
이름 및 식별자
- 우선 이름
- N-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
- IUPAC
- N-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
이름 및 동의어
325693-65-06070-70-8N-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamideN-(2-hydroxyethyl)-2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamideN-(2-hydroxyethyl)-2-({3-oxo-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamideN-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamideN-(2-hydroxyethyl)-2-(4-oxo-3-phenyl(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3 -d]pyrimidin-2-ylthio))acetamideCBMicro_032822Oprea1_518902Oprea1_821861DTXSID30366666SBB083512
이름 더 보기
STL079444AKOS000531735BIM-0032939.P001ST50032103AF-399/14202011F0739-0009N-(2-hydroxyethyl)-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetamide
데이터베이스 식별자
- CAS
6070-70-8- PubChem CID
- 2131568
- DTXSID
DTXSID30366666
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 624
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…