(S)-3'-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6',7'-dihydrospiro[[1,3]dioxolane-2,5'-indazole]-1'(4'H)-carboxamide

HCID 46863561

기본 정보

표준 SMILES
CNC(=O)[C@@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CCC1(C2)OCCO1)C(C)(C)C
InChIKey
COQFXHJBLMTFBP-LJQANCHMSA-N
분자식
C23H28F2N4O4
평균 분자량
462.5 g/mol
단동위원소 질량
462.20786171

이름 및 식별자

우선 이름
(S)-3'-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6',7'-dihydrospiro[[1,3]dioxolane-2,5'-indazole]-1'(4'H)-carboxamide
IUPAC
3'-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-indazole]-1'-carboxamide

이름 및 동의어

SCHEMBL1337794COQFXHJBLMTFBP-LJQANCHMSA-N(S)-3'-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6',7'-dihydrospiro[[1,3]dioxolane-2,5'-indazole]-1'(4'H)-carboxamide

데이터베이스 식별자

PubChem CID
46863561

물성

구조 계산 물성

XLogP
3.1
극성 표면적
94.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
33

관련 반응

4건

화합물 노트

불러오는 중…

(S)-3'-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6',7'-dihydrospiro[[1,3]dioxolane-2,5'-indazole]-1'(4'H)-carboxamide (HCID 46863561)|Huagongshe