tert-butyl 1-[(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)(methoxy)methyl]cyclopropanecarboxylate
기본 정보
- 표준 SMILES
COC(c1ccc(Cl)c(NC(=O)[C@H](c2ccc(Cl)cc2)[C@@H](C)C(F)(F)F)c1)C1(C(=O)OC(C)(C)C)CC1- InChIKey
XQWMHVNBWHCCRM-XLRMLUQGSA-N- 분자식
- C27H30Cl2F3NO4
- 평균 분자량
- 560.4 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl 1-[(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)(methoxy)methyl]cyclopropanecarboxylate
- IUPAC
- tert-butyl 1-[[4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino]phenyl]-methoxymethyl]cyclopropane-1-carboxylate
이름 및 동의어
tert-butyl 1-[(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)(methoxy)methyl]cyclopropanecarboxylateSCHEMBL10006377tert-Butyl 1-[(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-phenyl)(methoxy)methyl]cyclopropanecarboxylate
데이터베이스 식별자
- PubChem CID
- 68006868
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 64.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 806
관련 반응
2건
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