Ethyl 1-(2,4-dichlorobenzyl)-3-((2,4-dichlorobenzyl)(3-(trifluoromethyl)benzoyl)amino)-1H-indole-2-carboxylate
기본 정보
- CAS
338968-30-2- 표준 SMILES
CCOC(=O)c1c(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl- InChIKey
BPBVWWYUBSEGTK-UHFFFAOYSA-N- 분자식
- C33H23Cl4F3N2O3
- 평균 분자량
- 694.3 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 1-(2,4-dichlorobenzyl)-3-((2,4-dichlorobenzyl)(3-(trifluoromethyl)benzoyl)amino)-1H-indole-2-carboxylate
- IUPAC
- ethyl 1-[(2,4-dichlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl-[3-(trifluoromethyl)benzoyl]amino]indole-2-carboxylate
- 영어명
- Ethyl 1-(2,4-dichlorobenzyl)-3-((2,4-dichlorobenzyl)[3-(trifluoromethyl)benzoyl]amino)-1H-indole-2-carboxylate
- 분자식
- C33H23Cl4F3N2O3
- 분자량
- 694.35
이름 및 동의어
338968-30-2Ethyl 1-(2,4-dichlorobenzyl)-3-((2,4-dichlorobenzyl)(3-(trifluoromethyl)benzoyl)amino)-1H-indole-2-carboxylateethyl 1-[(2,4-dichlorophenyl)methyl]-3-[(2,4-dichlorophenyl)methyl-[3-(trifluoromethyl)benzoyl]amino]indole-2-carboxylateAKOS0050963376L-909ethyl 1-[(2,4-dichlorophenyl)methyl]-3-{N-[(2,4-dichlorophenyl)methyl]3-(trifluoromethyl)benzamido}-1H-indole-2-carboxylateEthyl 1-(2,4-dichlorobenzyl)-3-((2,4-dichlorobenzyl)[3-(trifluoromethyl)benzoyl]amino)-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 1-[(2,4-dichlorophenyl)methyl]-3-[[(2,4-dichlorophenyl)methyl][3-(trifluoromethyl)benzoyl]amino]-, ethyl ester
데이터베이스 식별자
- CAS
338968-30-2
물성
구조 계산 물성
- XLogP
- 10.1
- 극성 표면적
- 51.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 끓는 점
- 771.1 · 771.1±60.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.05 · -3.05±0.70(Predicted)
관련 반응
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