[bis-(4-methoxy-phenyl)-phenyl-methyl]-{(R)-5-[5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-2-fluoro-phenyl]-6,6-difluoro-5,7,7-trimethyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-yl}-amine

HCID 68380558

기본 정보

표준 SMILES
COc1ccc(C(NC2=N[C@](C)(c3cc(B4OCC(C)(C)CO4)ccc3F)C(F)(F)C(C)(C)OC2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
ANWKDEOCEQUERH-KXQOOQHDSA-N
분자식
C40H44BF3N2O5
평균 분자량
700.6 g/mol
단동위원소 질량
700.3295372

이름 및 식별자

우선 이름
[bis-(4-methoxy-phenyl)-phenyl-methyl]-{(R)-5-[5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-2-fluoro-phenyl]-6,6-difluoro-5,7,7-trimethyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-yl}-amine
IUPAC
(5R)-N-[bis(4-methoxyphenyl)-phenylmethyl]-5-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]-6,6-difluoro-5,7,7-trimethyl-2H-1,4-oxazepin-3-amine

이름 및 동의어

[bis-(4-methoxy-phenyl)-phenyl-methyl]-{(R)-5-[5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-2-fluoro-phenyl]-6,6-difluoro-5,7,7-trimethyl-2,5,6,7-tetrahydro-[1,4]oxazepin-3-yl}-amineSCHEMBL12805161

데이터베이스 식별자

PubChem CID
68380558

물성

구조 계산 물성

극성 표면적
70.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
51

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