Methyl (3r,4s)-1-[(z)-1-(methylthio)-2-nitrovinyl]-4-[(3r)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylate

HCID 67304566

기본 정보

표준 SMILES
COC(=O)[C@H]1CN(/C(=C/[N+](=O)[O-])SC)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIKey
BGHCUQIXXWMGIV-ANIFSXRDSA-N
분자식
C21H27N3O5S
평균 분자량
433.5 g/mol

이름 및 식별자

우선 이름
Methyl (3r,4s)-1-[(z)-1-(methylthio)-2-nitrovinyl]-4-[(3r)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylate
IUPAC
methyl (3R,4S)-1-[(Z)-1-methylsulfanyl-2-nitroethenyl]-4-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxylate

이름 및 동의어

SCHEMBL2173946BGHCUQIXXWMGIV-ANIFSXRDSA-Nmethyl (3r,4s)-1-[(z)-1-(methylthio)-2-nitrovinyl]-4-[(3r)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylatemethyl(3r,4s)-1-[(z)-1-(methylthio)-2-nitrovinyl]-4-[(3r)-3-phenylpyrrolidin-1-yl]carbonylpiperidine-3-carboxylate

데이터베이스 식별자

PubChem CID
67304566

물성

구조 계산 물성

XLogP
2.5
극성 표면적
121 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
30

관련 반응

4건

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