기본 정보
- CAS
103295-92-7- 표준 SMILES
CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)CS(=O)(=O)NC(C)C)C1c1cccc([N+](=O)[O-])c1- InChIKey
VEZRCCZBPXTSNZ-UHFFFAOYSA-N- 분자식
- C24H33N3O8S
- 평균 분자량
- 523.6 g/mol
- 단동위원소 질량
- 523.19883619
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Ro 18-3981
- IUPAC
- 2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)acetyl]-1,4-dihydropyridine-3-carboxylate
- 영어명
- Ro 18-3981
- 분자량
- 0
이름 및 동의어
103295-92-7Ro 18-3981RO-183981RefChem:1796282-Propoxyethyl-1,4-dihydro-5-((isopropylsulfamoyl)acetyl)-2,6-dimethyl-4-(3-nitrophenyl)nicotinate2-propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)acetyl]-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylicacid,1,4-dihydro-2,6-dimethyl-5-[2-[[(1-methylethyl)amino]sulfonyl]acetyl]-4-(3-nitrophenyl)-,2-propoxyethyl esterVEZRCCZBPXTSNZ-UHFFFAOYSA-Norb1699503SCHEMBL10668843SCHEMBL30357965DTXSID60908316
이름 더 보기
1,4-Dihydro-2,6-dimethyl-5-[[[(1-methylethyl)amino]sulfonyl]acetyl]-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-propoxyethyl ester
AKOS040749319HY-117055T285621,4-dihydro-5-[(isopropylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid 2-propoxyethyl ester2-Propoxyethyl 2,6-dimethyl-4-(3-nitrophenyl)-5-{[(propan-2-yl)sulfamoyl]acetyl}-1,4-dihydropyridine-3-carboxylate2-Propoxyethyl 5-(2-(N-isopropylsulfamoyl)acetyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((((1-methylethyl)amino)sulfonyl)acetyl)-4-(3-nitrophenyl)-, 2-propoxyethyl ester
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 992
화학 및 산업
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