3-tert-butoxycarbonyl-6-(5-bromopyridin-2-ylmethylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HCID 57656249

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(Br)cn3)c2CC1
InChIKey
CAADZURFGIVOBK-UHFFFAOYSA-N
분자식
C21H24BrClN2O2S
평균 분자량
483.8 g/mol

이름 및 식별자

우선 이름
3-tert-butoxycarbonyl-6-(5-bromopyridin-2-ylmethylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine
IUPAC
tert-butyl 6-[(5-bromo-2-pyridinyl)methylsulfanyl]-7-chloro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

이름 및 동의어

SCHEMBL506827CAADZURFGIVOBK-UHFFFAOYSA-N3-tert-butoxycarbonyl-6-(5-bromo-pyridin-2-ylmethylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine3-tert-butoxycarbonyl-6-(5-bromopyridin-2-ylmethylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine6-(5-bromo-pyridin-2-ylmethylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine6-(5-bromopyridin-2-ylmethylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1h benzo[d]azepine6-(5-bromopyridin-2-ylmethylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

데이터베이스 식별자

PubChem CID
57656249

물성

구조 계산 물성

XLogP
5.4
극성 표면적
67.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
28

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21건

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