(S)-1-(2-methyl-5-propoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-1 (2H)-yl)ethanone (HCID 123884038)

기본 정보

표준 SMILES: CCCOc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1CC[C@H](C)N2C(C)=O
InChIKey: XTYIIDFOVPHRBD-AWEZNQCLSA-N
분자식: C21H32BNO4
평균 분자량: 373.3 g/mol

이름 및 식별자

우선 이름: (S)-1-(2-methyl-5-propoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-1 (2H)-yl)ethanone
IUPAC: 1-[(2S)-2-methyl-5-propoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

이름 및 동의어

SCHEMBL16717109XTYIIDFOVPHRBD-AWEZNQCLSA-N(S)-1-(2-methyl-5-propoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-1 (2H)-yl)ethanone(S)-1-(2-methyl-5-propoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-1(2H)-yl)ethanone

데이터베이스 식별자

PubChem CID: 123884038

물성

구조 계산 물성

극성 표면적: 48 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 27
형식 전하: 0
복잡도: 536

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