Acetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]hydrochloride salt
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기본 정보
- CAS
883446-27-3- 표준 SMILES
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1.Cl- InChIKey
PJQGOUVTIKZTOU-QUQQOIKDSA-N- 분자식
- C21H33ClF2N2O4
- 평균 분자량
- 450.9 g/mol
이름 및 식별자
- 우선 이름
- Acetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]hydrochloride salt
- IUPAC
- N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide;hydrochloride
- 영어명
- AcetaMide, N-[(1S,2S)-1-[(3,5-difluorophenyl)Methyl]-2-[(3R,5S,6R)-6-(2,2-diMethylpropoxy)-5-Methyl-3-Morpholinyl]-2-hydroxyethyl]-, (HCl salt)
- 분자식
- C21H33ClF2N2O4
- 분자량
- 450.9475264
이름 및 동의어
CHEMBL4077530883446-27-3orb3173588SCHEMBL3230409PJQGOUVTIKZTOU-QUQQOIKDSA-NAcetamide,N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methyl-3-morpholinyl]-2-hydroxyethyl]hydrochloride saltN-{(1S,2S)-1-(3,5-Difluorobenzyl)-2-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-2-hydroxyethyl}-acetamide hydrochlorideN-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl]acetamide:hydrochlorideAcetaMide, N-[(1S,2S)-1-[(3,5-difluorophenyl)Methyl]-2-[(3R,5S,6R)-6-(2,2-diMethylpropoxy)-5-Methyl-3-Morpholinyl]-2-hydroxyethyl]-, (HCl salt)
데이터베이스 식별자
- CAS
883446-27-3- ChEMBL
CHEMBL4077530
물성
구조 계산 물성보충 중
- 극성 표면적
- 79.8 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 521
관련 반응
0건
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