[4-(Dihydroxyboranyl)-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridin-3-yl]methyl acetate

HCID 86684340

기본 정보

표준 SMILES
CC(=O)OCc1c(B(O)O)ccnc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O
InChIKey
LPVCUHJOUCPCEO-UHFFFAOYSA-N
분자식
C20H24BN3O5
평균 분자량
397.2 g/mol

이름 및 식별자

우선 이름
[4-(Dihydroxyboranyl)-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridin-3-yl]methyl acetate
IUPAC
[3-(acetyloxymethyl)-2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-pyridinyl]boronic acid

이름 및 동의어

SCHEMBL14926030SCHEMBL29741882LPVCUHJOUCPCEO-UHFFFAOYSA-N[4-(dihydroxyboranyl)-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridin-3-yl]methyl acetate{3-[(acetoxy)methyl]-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridin-4-yl}boronic acid{3-[(Acetyloxy)methyl]-2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}pyridin-4-yl}boronic Acid

데이터베이스 식별자

PubChem CID
86684340

물성

구조 계산 물성

극성 표면적
105 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
5
무거운 원자 수
29

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68건

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