(S,E)-(2-((tert-butyldimethylsilyloxy)methyl)-4-(prop-1-enyl)-2,3-dihydro-1H-pyrrol-1-yl)(5-methoxy-2-nitro-4-(triisopropylsilyloxy)phenyl)methanone (HCID 86717761)

기본 정보

표준 SMILES: C/C=C/C1=CN(C(=O)c2cc(OC)c(O[Si](C(C)C)(C(C)C)C(C)C)cc2[N+](=O)[O-])[C@H](CO[Si](C)(C)C(C)(C)C)C1
InChIKey: KMKOQCGPGGIOKP-MIFWMJNYSA-N
분자식: C31H52N2O6Si2
평균 분자량: 604.9 g/mol

이름 및 식별자

우선 이름: (S,E)-(2-((tert-butyldimethylsilyloxy)methyl)-4-(prop-1-enyl)-2,3-dihydro-1H-pyrrol-1-yl)(5-methoxy-2-nitro-4-(triisopropylsilyloxy)phenyl)methanone
IUPAC: [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(E)-prop-1-enyl]-2,3-dihydropyrrol-1-yl]-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxyphenyl]methanone

이름 및 동의어

SCHEMBL14862529KMKOQCGPGGIOKP-MIFWMJNYSA-N(S,E)-(2-((tert-butyldimethylsilyloxy)methyl)-4-(prop-1-enyl)-2,3-dihydro-1H-pyrrol-1-yl) (5-methoxy-2-nitro-4-(triisopropylsilyloxy)phenyl)methanone(S,E)-(2-((tert-butyldimethylsilyloxy)methyl)-4-(prop-1-enyl)-2,3-dihydro-1H-pyrrol-1-yl)(5-methoxy-2-nitro-4-(triisopropylsilyloxy)phenyl)methanone

데이터베이스 식별자

PubChem CID: 86717761

물성

구조 계산 물성

극성 표면적: 93.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 12
무거운 원자 수: 41
형식 전하: 0
복잡도: 945

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