기본 정보
- CAS
335397-59-6- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)sc2c1CCCC2- InChIKey
HYNNIMIUCJEXEN-UHFFFAOYSA-N- 분자식
- C22H25N5O4S3
- 평균 분자량
- 519.7 g/mol
이름 및 식별자
- 우선 이름
- 2-{2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-
- IUPAC
- ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-({[(5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C22H25N5O4S3
- 분자량
- 519.66
이름 및 동의어
2-{2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-STK546301AKOS000587580ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAG-690/40753490ethyl 2-({[(5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-({[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 2-[[2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 697
화학 및 산업
공급사3 곳
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