6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione (HCID 135876065)｜Huagongshe

6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

HCID 135876065

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c2s1
InChIKey: LTVMPPYRNHQUTF-UHFFFAOYSA-N
분자식: C32H26N4O6S
평균 분자량: 594.6 g/mol

이름 및 식별자

우선 이름: 6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
IUPAC: 6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione

이름 및 동의어

SCHEMBL2774533SCHEMBL13311390LTVMPPYRNHQUTF-UHFFFAOYSA-N6-ethyl-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

데이터베이스 식별자

PubChem CID: 135876065

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 146 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 43
형식 전하: 0
복잡도: 1,100

관련 반응

17건

반응 기록 만들기

HRID 89292 반응식

HRID 89292반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 93190 반응식

HRID 93190반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 165346 반응식

HRID 165346반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 812260 반응식

HRID 812260반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 1118162 반응식

HRID 1118162반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1129348 반응식

HRID 1129348반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1553720 반응식

HRID 1553720반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1889483 반응식

HRID 1889483생성물로uspto-grants-2013_08

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