alpha-(R)-(3-(S)-((4-(4-benzyl-5-methyl-1H-pyrazol-3(2H)-on-2-yl)-piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid 4-methoxybenzyl ester
기본 정보
- 표준 SMILES
COc1ccc(COC(=O)[C@@H](C2CCCCC2)N2C[C@H](CN3CCC(n4[nH]c(C)c(Cc5ccccc5)c4=O)CC3)[C@@H](c3ccccc3)C2)cc1- InChIKey
ZMBAMACJPVXQET-DZJFOQFNSA-N- 분자식
- C43H54N4O4
- 평균 분자량
- 690.9 g/mol
이름 및 식별자
- 우선 이름
- alpha-(R)-(3-(S)-((4-(4-benzyl-5-methyl-1H-pyrazol-3(2H)-on-2-yl)-piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid 4-methoxybenzyl ester
- IUPAC
- (4-methoxyphenyl)methyl (2R)-2-[(3S,4S)-3-[[4-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetate
이름 및 동의어
SCHEMBL7545449ZMBAMACJPVXQET-DZJFOQFNSA-Nalpha-(R)-(3-(S)-((4-(4-benzyl-5-methyl-1H-pyrazol-3(2H)-on-2-yl)-piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-cyclohexaneacetic acid 4-methoxybenzyl ester
데이터베이스 식별자
- PubChem CID
- 70124577
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 74.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,160
관련 반응
2건
화합물 노트
불러오는 중…