기본 정보
- CAS
1009672-92-7- 표준 SMILES
CCOC(=O)c1c(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)sc(C)c1C- InChIKey
YODMAROYMWFTDZ-UHFFFAOYSA-N- 분자식
- C23H23N3O4S
- 평균 분자량
- 437.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4,5-dimethyl-2-{[(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}thiophene-3-carboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[[2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetyl]amino]thiophene-3-carboxylate
- 영어명
- ethyl 4,5-dimethyl-2-{[(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylate
- 분자식
- C23H23N3O4S
- 분자량
- 437.51
이름 및 동의어
1009672-92-7ethyl 4,5-dimethyl-2-(2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamido)thiophene-3-carboxylateethyl 4,5-dimethyl-2-(2-{12-oxo-10,13-diazatricyclo[7.4.1.0^{5,14}]tetradeca-1,3,5(14),6,8-pentaen-11-yl}acetamido)thiophene-3-carboxylateethyl 4,5-dimethyl-2-{[(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}thiophene-3-carboxylateSTL019119AKOS001711145AKOS016319286Ethyl 4,5-dimethyl-2-[[2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetyl]amino]thiophene-3-carboxylateST50489493AB00686424-01AO-022/42853967F1709-0024
이름 더 보기
3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[2-(1,2,3,4-tetrahydro-3-oxonaphtho[1,8-ef]-1,4-diazepin-2-yl)acetyl]amino]-, ethyl ester
ethyl 4,5-dimethyl-2-{[(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetyl]amino}-3-thiophenecarboxylateETHYL 4,5-DIMETHYL-2-{[2-(3-OXO-1,2,3,4-TETRAHYDRONAPHTHO[1,8-EF][1,4]DIAZEPIN-2-YL)ACETYL]AMINO}-3-THIOPHENECARBOXYLATE
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 704
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
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