7-[2-(t-Butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1-cyclopropyl-5-amino-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (HCID 54349663)

기본 정보

표준 SMILES: CON=C1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC12CN(C(=O)OC(C)(C)C)C2
InChIKey: UEVHITWHMGTTQV-UHFFFAOYSA-N
분자식: C25H29F2N5O6
평균 분자량: 533.5 g/mol
단동위원소 질량: 533.20858999

이름 및 식별자

우선 이름: 7-[2-(t-Butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1-cyclopropyl-5-amino-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
IUPAC: 5-amino-1-cyclopropyl-6,8-difluoro-7-[5-methoxyimino-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-4-oxoquinoline-3-carboxylic acid

이름 및 동의어

SCHEMBL7161538UEVHITWHMGTTQV-UHFFFAOYSA-N7-[2-(t-butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1 -cyclo propyl-5-amino-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid7-[2-(t-butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1-cyclo propyl-5-amino-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid7-[2-(t-butoxycarbonyl)-8-(methoxyimino)-2,6-diazaspiro[3,4]oct-6-yl]-1-cyclopropyl-5-amino-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

데이터베이스 식별자

PubChem CID: 54349663

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 138 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 12
회전 가능 결합 수: 6
무거운 원자 수: 38
형식 전하: 0
복잡도: 1,080

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