기본 정보
- 표준 SMILES
CCOC(=O)c1nnc(CN(C(=O)OC(C)(C)C)c2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nc(C)n2)s1- InChIKey
OHYQYXXAWUDEME-MSOLQXFVSA-N- 분자식
- C26H32N6O5S
- 평균 분자량
- 540.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 5-((tert-butoxycarbonyl(2-methyl-6-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)pyrimidin-4-yl)amino)methyl)-1,3,4-thiadiazole-2-carboxylate
- IUPAC
- ethyl 5-[[[2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-1,3,4-thiadiazole-2-carboxylate
이름 및 동의어
SCHEMBL15939809OHYQYXXAWUDEME-MSOLQXFVSA-NEthyl 5-((tert-butoxycarbonyl(2-methyl-6-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclo propyl)methoxy)pyrimidin-4-yl)amino)methyl)-1,3,4-thiadiazole-2-carboxylateethyl 5-((tert-butoxycarbonyl(2-methyl-6-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)pyrimidin-4-yl)amino)methyl)-1,3,4-thiadiazole-2-carboxylate
데이터베이스 식별자
- PubChem CID
- 86729573
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 815
관련 반응
2건
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