기본 정보
- CAS
477867-36-0- 표준 SMILES
COc1ccc(-n2ncc(N(C)CCOC(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)c2=O)cc1- InChIKey
HAKHNQQACLEKAJ-UHFFFAOYSA-N- 분자식
- C22H20ClF3N4O4
- 평균 분자량
- 496.9 g/mol
- 단동위원소 질량
- 496.1125173
이름 및 식별자
- 우선 이름
- 2-((5-Chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)(methyl)amino)ethyl N-(3-(trifluoromethyl)phenyl)carbamate
- IUPAC
- 2-[[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-methylamino]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
- 영어명
- 2-[[5-CHLORO-1-(4-METHOXYPHENYL)-6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL](METHYL)AMINO]ETHYL N-[3-(TRIFLUOROMETHYL)PHENYL]CARBAMATE
- 분자식
- C22H20ClF3N4O4
- 분자량
- 496.87
이름 및 동의어
477867-36-02-((5-Chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-4-pyridazinyl)(methyl)amino)ethyl N-(3-(trifluoromethyl)phenyl)carbamate2-{[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-4-yl](methyl)amino}ethyl N-[3-(trifluoromethyl)phenyl]carbamate2-[[5-chloro-1-(4-methoxyphenyl)-6-oxopyridazin-4-yl]-methylamino]ethyl N-[3-(trifluoromethyl)phenyl]carbamateAKOS0050829451L-9072-{[5-chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-4-yl](methyl)amino}ethylN-[3-(trifluoromethyl)phenyl]carbamate2-[[5-CHLORO-1-(4-METHOXYPHENYL)-6-OXO-1,6-DIHYDRO-4-PYRIDAZINYL](METHYL)AMINO]ETHYL N-[3-(TRIFLUOROMETHYL)PHENYL]CARBAMATECarbamic acid, [3-(trifluoromethyl)phenyl]-, 2-[[5-chloro-1,6-dihydro-1-(4-methoxyphenyl)-6-oxo-4-pyridazinyl]methylamino]ethyl ester (9CI)
데이터베이스 식별자
- CAS
477867-36-0- PubChem CID
- 1489590
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 83.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 800
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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