기본 정보
- CAS
880790-01-2- 표준 SMILES
CCOc1cc(C2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCOC)ccc1O- InChIKey
ICRBYCXZKBSFIO-UHFFFAOYSA-N- 분자식
- C24H26ClN3O5
- 평균 분자량
- 471.9 g/mol
이름 및 식별자
- 우선 이름
- (3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
- IUPAC
- 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
- 영어명
- 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
- 분자식
- C24H26ClN3O5
- 분자량
- 471.93
이름 및 동의어
880790-01-23-(5-Chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-oneSTK593500AKOS002201555AKOS005515152AKOS016157922(3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-oneAS-871/432721093-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-onePyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-4,5-dihydro-5-(3-methoxypropyl)-
데이터베이스 식별자
- CAS
880790-01-2
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 672
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