기본 정보
- CAS
445013-05-8- 표준 SMILES
CCOC(=O)c1cc(C)sc1NC(=O)c1c(-c2c(F)cccc2Cl)noc1C- InChIKey
RLHVHICKCCLRAI-UHFFFAOYSA-N- 분자식
- C19H16ClFN2O4S
- 평균 분자량
- 422.9 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylate
- 분자식
- C19H16ClFN2O4S
- 분자량
- 422.8577432
이름 및 동의어
ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-methyl-3-thiophenecarboxylateOprea1_858155AK-968/40709576STK332336AKOS003300439ethyl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-methylthiophene-3-carboxylateETHYL 2-[3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-1,2-OXAZOLE-4-AMIDO]-5-METHYLTHIOPHENE-3-CARBOXYLATEST50933215445013-05-8ethyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-5-methylthiophene-3-carboxylateethyl 2-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-5-methylthiophene-3-carboxylateethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonylamino}-5-m ethylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
445013-05-8
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 586
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