2-[2-(4-Fluorophenyl)acetyl]-4-(2,2-dimethylpropionyloxy) pyrazolidine-1-carboxylic acid 1-benzyl ester

HCID 20724747

기본 정보

표준 SMILES
CC(C)(C)C(=O)OC1CN(C(=O)Cc2ccc(F)cc2)N(C(=O)OCc2ccccc2)C1
InChIKey
XXIWUZKNXKXZBD-UHFFFAOYSA-N
분자식
C24H27FN2O5
평균 분자량
442.5 g/mol

이름 및 식별자

우선 이름
2-[2-(4-Fluorophenyl)acetyl]-4-(2,2-dimethylpropionyloxy) pyrazolidine-1-carboxylic acid 1-benzyl ester
IUPAC
benzyl 4-(2,2-dimethylpropanoyloxy)-2-[2-(4-fluorophenyl)acetyl]pyrazolidine-1-carboxylate

이름 및 동의어

SCHEMBL4855518XXIWUZKNXKXZBD-UHFFFAOYSA-N2-[2-(4-fluorophenyl)acetyl]-4-(2,2-dimethylpropionyloxy) pyrazolidine-1-carboxylic acid 1-benzyl ester2-[2-(4-Fluorophenyl)acetyl]-4-(2,2-dimethylpropionyloxy)-pyrazolidine 1-carboxylic acid 1-benzyl ester2-[2-(4-Fluorophenyl)acetyl]-4-(2,2-dimethylpropionyloxy)-pyrazolidine-1-carboxylic acid 1-benzyl ester2-[2-(4-fluorophenyl)acetyl]4-(2,2-dimethylpropionyloxy)-pyrazolidine-1-carboxylic acid 1-benzyl ester

데이터베이스 식별자

PubChem CID
20724747

물성

구조 계산 물성

XLogP
4.1
극성 표면적
76.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
32

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