2-[(6R)-6-(3,5-Difluorophenyl)-3,3-diethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide
기본 정보
- 표준 SMILES
CCC1(CC)NC[C@@H](c2cc(F)cc(F)c2)N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C1=O- InChIKey
WCAFWOXYEIDTDA-SETSBSEESA-N- 분자식
- C31H31F2N5O3
- 평균 분자량
- 559.6 g/mol
- 단동위원소 질량
- 559.23949619
이름 및 식별자
- 우선 이름
- 2-[(6R)-6-(3,5-Difluorophenyl)-3,3-diethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide
- IUPAC
- 2-[(6R)-6-(3,5-difluorophenyl)-3,3-diethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
이름 및 동의어
SCHEMBL1273835WCAFWOXYEIDTDA-SETSBSEESA-N2-[(6r)-6-(3, 5-difluorophenyl)-3,3-diethyl-2-oxopiperazin-1-yl]-n[(2r)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide2-[(6R)-6-(3,5-Difluorophenyl)-3,3-diethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide2-[(6r)-6-(3,5-difluorophenyl)-3,3-diethyl-2-oxopiperazin-1-yl]-n[(2r)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide
데이터베이스 식별자
- PubChem CID
- 25019938
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,020
관련 반응
3건
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