기본 정보
- CAS
921141-97-1- 표준 SMILES
CCOC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccc(OC)cc2)C1=O- InChIKey
DGHUPEFJZCAUKI-UHFFFAOYSA-N- 분자식
- C21H20F3N3O4
- 평균 분자량
- 435.4 g/mol
이름 및 식별자
- 우선 이름
- ethyl 1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-ylcarbamate
- IUPAC
- ethyl N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
- 영어명
- ethyl 1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-ylcarbamate
- 분자식
- C21H20F3N3O4
- 분자량
- 435.4
이름 및 동의어
921141-97-1ethyl 1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-ylcarbamateethyl (1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl)carbamateethyl [1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamateSTK786854AKOS005622141ethyl N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamateAO-022/43452532ETHYL N-{1-[(4-METHOXYPHENYL)METHYL]-5-OXO-2-PHENYL-4-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-IMIDAZOL-4-YL}CARBAMATECarbamic acid, N-[4,5-dihydro-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-1H-imidazol-4-yl]-, ethyl ester
데이터베이스 식별자
- CAS
921141-97-1
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 80.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 686
물리화학적 성질
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.92 · 7.92±0.20(Predicted)
화학 및 산업
공급사4 곳
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