기본 정보
- CAS
313248-63-4- 표준 SMILES
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4sc5c(c4C(=O)OC(C)C)CCCC5)cc3n2)cc1- InChIKey
ZRCJRDCIHMWYHY-UHFFFAOYSA-N- 분자식
- C27H25F3N4O4S
- 평균 분자량
- 558.6 g/mol
이름 및 식별자
- 우선 이름
- Isopropyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- isopropyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C27H25F3N4O4S
- 분자량
- 558.57
이름 및 동의어
isopropyl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTL049082AKOS000556557propan-2-yl 2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST018946AK-968/12117213SR-01000551030SR-01000551030-1isopropyl 2-(5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatemethylethyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)-8-hydropyrazolo[1,5-a] pyrimidin-2-yl]carbonylamino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylat epropan-2-yl 2-({[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatePROPAN-2-YL 2-[5-(4-METHOXYPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-AMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 888
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