7-[3-t-Butoxycarbonylamino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)NC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1- InChIKey
JZOGAALDCRGVFD-UHFFFAOYSA-N- 분자식
- C22H25F2N3O5
- 평균 분자량
- 449.4 g/mol
이름 및 식별자
- 우선 이름
- 7-[3-t-Butoxycarbonylamino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid
- IUPAC
- 1-cyclopropyl-6,8-difluoro-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
SCHEMBL9158589JZOGAALDCRGVFD-UHFFFAOYSA-N7-[3-t-butoxycarbonylamino-1-pyrrolidinyl]-1-cyclopropyl 6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid7-[3-t-Butoxycarbonylamino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid7[3-t-butoxycarbonylamino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxyic acid7[3-t-butoxycarbonylamino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
데이터베이스 식별자
- PubChem CID
- 13772800
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 99.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 825
관련 반응
17건
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