기본 정보
- CAS
880403-95-2- 표준 SMILES
COc1cc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCO)ccc1OCCC(C)C- InChIKey
ASICUJJSFONUQM-UHFFFAOYSA-N- 분자식
- C26H30ClN3O5
- 평균 분자량
- 500 g/mol
- 단동위원소 질량
- 499.1873988
이름 및 식별자
- 우선 이름
- 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
- IUPAC
- 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
- 영어명
- 3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(isopentyloxy)-3-methoxyphenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
- 분자식
- C26H30ClN3O5
- 분자량
- 499.99
이름 및 동의어
880403-95-23-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-(4-(isopentyloxy)-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one3-(5-chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(isopentyloxy)-3-methoxyphenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-oneSTK590048AKOS002201315AKOS005512417AKOS0161572103-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,4-dihydropyrrolo[3,4-c]pyrazol-6-oneAO-022/43270051Z1213669398Pyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4,5-dihydro-5-(2-hydroxyethyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-
데이터베이스 식별자
- CAS
880403-95-2- PubChem CID
- 4859967
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 끓는 점
- 701.7 · 701.7±60.0 °C(Predicted)
- 밀도
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.13 · 8.13±0.48(Predicted)
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