기본 정보
- CAS
500202-82-4- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)sc2c1CCC2- InChIKey
KXCWCCOZLJZROM-UHFFFAOYSA-N- 분자식
- C21H21N3O5S2
- 평균 분자량
- 459.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C21H21N3O5S2
- 분자량
- 459.54
이름 및 동의어
500202-82-4ETHYL 2-(2-{[5-(4-METHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATEethyl 2-(2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateSMR000074228MLS000048995ethyl 2-[({[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateMLS000911042CHEMBL1597574HMS2170J13STL012036
이름 더 보기
4H-Cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-, ethyl ester
AKOS002176310ST50062054AF-399/41945535F0594-0119F1440-0045ethyl 2-{2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-ylthio]acetylamino}-4,5,6-tr ihydrocyclopenta[2,1-b]thiophene-3-carboxylate
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 634
물리화학적 성질
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.91 · 11.91±0.20(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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