기본 정보
- CAS
714931-70-1- 표준 SMILES
COc1c(N2CCN(C(=S)Nc3ccccc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
CPLLYWMUTREMQW-UHFFFAOYSA-N- 분자식
- C26H27FN4O4S
- 평균 분자량
- 510.6 g/mol
- 단동위원소 질량
- 510.17370469
이름 및 식별자
- 우선 이름
- 1-Cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
- 영어명
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-7-[3-Methyl-4-[(phenylaMino)thioxoMethyl]-1-piperazinyl]-4-oxo-
- 분자식
- C26H27FN4O4S
- 분자량
- 510.58
이름 및 동의어
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acidSMR0001456011-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-4-phenylthiocarbamoyl-piperazin-1-yl)-4-oxo-1,4-dihydro -quinoline-3-carboxylic acid1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acidMLS000551676MLS002583450CHEMBL1529831SCHEMBL15281373STL052610AKOS005705574714931-70-1
이름 더 보기
1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-4-[(phenylamino)thioxomethyl]piperazin-1-yl]-4-oxo-quinolin-3-carboxylic acid1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-methyl-4-[(phenylamino)thioxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-7-[3-Methyl-4-[(phenylaMino)thioxoMethyl]-1-piperazinyl]-4-oxo-
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 908
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