4-(Acetylamino)phenyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
기본 정보
- CAS
68483-33-0- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)Oc1ccc(NC(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
KWUFTKVMXUYTBF-UHFFFAOYSA-N- 분자식
- C27H23ClN2O5
- 평균 분자량
- 490.9 g/mol
- 단동위원소 질량
- 490.1295495
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 4-(Acetylamino)phenyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
- IUPAC
- (4-acetamidophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- 영어명
- 4-(acetylamino)phenyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
- 분자식
- C27H23ClN2O5
- 분자량
- 490.93
이름 및 동의어
Apyramide68483-33-04-(Acetylamino)phenyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetateDTXSID0021858289832816U31-(4-chlorobenzoyl)-2-methyl-5-methoxyindole-3-(4-acetamido)phenyl acetateRefChem:113573DTXCID50141073270-913-9(4-acetamidophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate4-acetamidophenyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetateCHEMBL97562
이름 더 보기
Apyramide, 10 mM in DMSO1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-1H-indole-3-acetic acid 4-(acetylamino)phenyl ester1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 4-(acetylamino)phenyl ester
EINECS 270-913-9apyramidUNII-89832816U31-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 4-(acetylamino)phenyl ester1-(p-Chlorobenzoyl)-2-methyl-5-methoxyindole-3-p-acetamidophenol acetate(p-Chlorobenzoyl-1 methyl-2 methoxy-5)-indole-3 acetate de p-acetamidophenol [French]orb1710403SCHEMBL5323352
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 763
물리화학적 성질
- 녹는점
- 145 · 145-150 °C(Solv: benzene (71-43-2); methanol (67-56-1))
- 끓는 점
- 671.1 · 671.1±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 14.2 · 14.20±0.70(Predicted)
- 색상
- White to off-white
관련 반응
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