기본 정보
- 표준 SMILES
CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCn2c(cc3c2CC(C)(C)C3)C1=O- InChIKey
AWXNPZGFWJJEAZ-UHFFFAOYSA-N- 분자식
- C27H35BN2O5
- 평균 분자량
- 478.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronic Acid Pinacol Ester
- IUPAC
- [2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
이름 및 동의어
1346676-30-92-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronic Acid Pinacol EsterMFCD318115742-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronicAcidPinacolEster[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate2-(7,7-dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2h-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate2-(7,7-Dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate(2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetateSCHEMBL1393159AWXNPZGFWJJEAZ-UHFFFAOYSA-NAC3895SY248306
이름 더 보기
(2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0(2),]dodeca-2(6),7-dien-10-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate(2-{4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0,dodeca-2(6),7-dien-10-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate2-(7,7-Dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylacetate
물성
구조 계산 물성
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 845
관련 반응
5건
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