5-[2-(4-Anilinopiperid-1-yl)ethyl]-3-[3,5-bis(trifluoromethyl)benzyl]-5-(3,4-dichlorophenyl)-tetrahydro-2H-1,3-oxazin-2-one dihydrochloride monohydrate

HCID 21200476

기본 정보

표준 SMILES
Cl.Cl.O.O=C1OCC(CCN2CCC(Nc3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
PSJMVSGYSZTWAM-UHFFFAOYSA-N
분자식
C32H35Cl4F6N3O3
평균 분자량
765.4 g/mol

이름 및 식별자

우선 이름
5-[2-(4-Anilinopiperid-1-yl)ethyl]-3-[3,5-bis(trifluoromethyl)benzyl]-5-(3,4-dichlorophenyl)-tetrahydro-2H-1,3-oxazin-2-one dihydrochloride monohydrate
IUPAC
5-[2-(4-anilinopiperidin-1-yl)ethyl]-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(3,4-dichlorophenyl)-1,3-oxazinan-2-one;hydrate;dihydrochloride

이름 및 동의어

5-[2-(4-Anilinopiperid-1-yl)ethyl]-3-[3,5-bis(trifluoromethyl)benzyl]-5-(3,4-dichlorophenyl)-tetrahydro-2H-1,3-oxazin-2-one dihydrochloride monohydrateSCHEMBL77445905-[2-(4-Anilinopiperid-1-yl)ethyl]-3-[3,5-bis(trifluoromethyl)benzyl]-5-(3,4-dichlorophenyl)tetrahydro-2H-1,3-oxazin-2-one dihydrochloride monohydrate

데이터베이스 식별자

PubChem CID
21200476

물성

구조 계산 물성

극성 표면적
45.8 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
11
회전 가능 결합 수
8
무거운 원자 수
48

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6건

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