기본 정보
- 표준 SMILES
CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)C)c(=O)c2ccc(CCc3cscn3)cc12- InChIKey
SVZOOXCLPIEWCH-UHFFFAOYSA-N- 분자식
- C28H39N3O4S
- 평균 분자량
- 513.7 g/mol
이름 및 식별자
- 우선 이름
- Tert-butyl {4-butoxy-2-isobutyl-1-oxo-6-[2-(1,3-thiazol-4-yl)ethyl]-1,2-dihydro-3-isoquinolinyl}methylcarbamate
- IUPAC
- tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-3-yl]methyl]carbamate
이름 및 동의어
SVZOOXCLPIEWCH-UHFFFAOYSA-Ntert-butyl {4-butoxy-2-isobutyl-1-oxo-6-[2-(1,3-thiazol-4-yl)ethyl]-1,2-dihydro-3-isoquinolinyl}methylcarbamateTert-butyl {4-butoxy-2-isobutyl-1-oxo-6-[2-(1,3thiazol-4-yl)ethyl]-1,2-dihydro-3-isoquinolinyl}methylcarbamatetert-butyl{4-butoxy-2-isobutyl-1-oxo-6-[2-(1,3-thiazol-4-yl)ethyl]-1,2-dihydro-3-isoquinolinyl}methylcarbamateTert-butyl{4-butoxy-2-isobutyl-1-oxo-6-[2-(1,3thiazol-4-yl)ethyl]-1,2-dihydro-3-isoquinolinyl}methylcarbamate
데이터베이스 식별자
- PubChem CID
- 22175409
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 779
관련 반응
2건
화합물 노트
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