Isopropyl 6-ethyl-2-{[(3-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
445021-08-9- 표준 SMILES
CCC1CCc2c(sc(NC(=O)COc3cccc(C)c3)c2C(=O)OC(C)C)C1- InChIKey
ORRBVPMUWNTEBO-UHFFFAOYSA-N- 분자식
- C23H29NO4S
- 평균 분자량
- 415.5 g/mol
이름 및 식별자
- 우선 이름
- Isopropyl 6-ethyl-2-{[(3-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 6-ethyl-2-[[2-(3-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- isopropyl 6-ethyl-2-{[(3-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C23H29NO4S
- 분자량
- 415.54566
이름 및 동의어
isopropyl 6-ethyl-2-{[(3-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatepropan-2-yl 6-ethyl-2-{[(3-methylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK453649AKOS003300028AKOS022166840propan-2-yl 6-ethyl-2-[[2-(3-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50933386AK-968/40733431445021-08-9isopropyl 6-ethyl-2-(2-(m-tolyloxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatemethylethyl 6-ethyl-2-[2-(3-methylphenoxy)acetylamino]-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
445021-08-9
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 92.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 569
관련 반응
0건
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