(2S)-methyl 2-(7-(4-allyl-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-methyl-2-(2'-(pent-4-en-1-yloxy)-[1,1'-biphenyl]-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
기본 정보
- 표준 SMILES
C=CCCCOc1ccccc1-c1cccc(-c2cc3nc(C)c([C@H](OC(C)(C)C)C(=O)OC)c(-c4ccc5c(c4Cl)N(CC=C)CCO5)n3n2)c1- InChIKey
YOQDZNOLCQXPEY-FAIXQHPJSA-N- 분자식
- C42H45ClN4O5
- 평균 분자량
- 721.3 g/mol
이름 및 식별자
- 우선 이름
- (2S)-methyl 2-(7-(4-allyl-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-methyl-2-(2'-(pent-4-en-1-yloxy)-[1,1'-biphenyl]-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
- IUPAC
- methyl (2S)-2-[7-(5-chloro-4-prop-2-enyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-2-[3-(2-pent-4-enoxyphenyl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
이름 및 동의어
SCHEMBL15476476YOQDZNOLCQXPEY-FAIXQHPJSA-N(2S)-methyl 2-(7-(4-allyl-5-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-methyl-2-(2'-(pent-4-en-1-yloxy)-[1,1'-biphenyl]-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl)-2-(tert-butoxy)acetate
데이터베이스 식별자
- PubChem CID
- 89971579
물성
구조 계산 물성
- XLogP
- 9
- 극성 표면적
- 87.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,190
관련 반응
1건
화합물 노트
불러오는 중…