Tert-butyl 4-((2-chloro-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazine-1-carboxylate
기본 정보
- CAS
956034-69-8- 표준 SMILES
Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)sc2c(N3CCOCC3)nc(Cl)nc12- InChIKey
QNKVCXJZMUTEPJ-UHFFFAOYSA-N- 분자식
- C21H30ClN5O3S
- 평균 분자량
- 468 g/mol
- 단동위원소 질량
- 467.1757885
이름 및 식별자
- 우선 이름
- Tert-butyl 4-((2-chloro-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylate
이름 및 동의어
tert-butyl 4-((2-chloro-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazine-1-carboxylate956034-69-8tert-butyl 4-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazine-1-carboxylateSCHEMBL190335QNKVCXJZMUTEPJ-UHFFFAOYSA-NDTXSID901106218CS-00084621,1-Dimethylethyl 4-[[2-chloro-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinecarboxylate4-(2-Chloro-7-methyl-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- CAS
956034-69-8- PubChem CID
- 56648760
- DTXSID
DTXSID901106218
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 99.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 625
관련 반응
24건
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