ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
기본 정보
- CAS
573945-16-1- 표준 SMILES
CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(C)c3C2c2ccccc2)cc1- InChIKey
FDMOAZJYUFXHOK-UHFFFAOYSA-N- 분자식
- C21H19N3O3
- 평균 분자량
- 361.4 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
- IUPAC
- ethyl 4-(3-methyl-6-oxo-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoate
- 영어명
- ethyl 4-(3-methyl-6-oxo-4-phenyl-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)benzoate
- 분자식
- C21H19N3O3
- 분자량
- 361.39
이름 및 동의어
573945-16-1ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoateMLS000080430ethyl 4-(3-methyl-6-oxo-4-phenyl-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl)benzoateCHEMBL1299399HMS2391B06STL048515AKOS001791292AKOS005701693AKOS022042899NCGC00065490-02SMR000035609
이름 더 보기
Benzoic acid, 4-(4,6-dihydro-3-methyl-6-oxo-4-phenylpyrrolo[3,4-c]pyrazol-5(1H)-yl)-, ethyl ester
AB00400627-09AT-057/43468671SR-01000126825SR-01000126825-1ethyl 4-(3-methyl-6-oxo-4-phenyl-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl)benzoateethyl 4-(3-methyl-6-oxo-4-phenylpyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoateETHYL 4-{3-METHYL-6-OXO-4-PHENYL-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-5-YL}BENZOATE
데이터베이스 식별자
- CAS
573945-16-1- ChEMBL
CHEMBL1299399
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 75.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 555
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