4-Isopropyl 2-methyl 5-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
기본 정보
- CAS
444931-23-1- 표준 SMILES
COC(=O)c1sc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(C(=O)OC(C)C)c1C- InChIKey
FXHBQWCHWHSPIA-UHFFFAOYSA-N- 분자식
- C22H21ClN2O6S
- 평균 분자량
- 476.9 g/mol
이름 및 식별자
- 우선 이름
- 4-Isopropyl 2-methyl 5-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
- IUPAC
- 2-O-methyl 4-O-propan-2-yl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
- 영어명
- 4-isopropyl 2-methyl 5-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylate
- 분자식
- C22H21ClN2O6S
- 분자량
- 476.92994
이름 및 동의어
4-isopropyl 2-methyl 5-({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-3-methyl-2,4-thiophenedicarboxylateAK-968/15605048STL170669AKOS0037936402-O-methyl 4-O-propan-2-yl 5-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate2-methyl 4-propan-2-yl 5-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3-methylthiophene-2,4-dicarboxylate4-isopropyl 2-methyl 5-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate444931-23-1
데이터베이스 식별자
- CAS
444931-23-1
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 710
관련 반응
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