기본 정보
- CAS
59849-49-9- 표준 SMILES
Cc1ccc2c(c1)CC(N1CCN(CCN3CCOC3=O)CC1)c1cc(F)ccc1S2- InChIKey
PUILADRSZIIQMY-UHFFFAOYSA-N- 분자식
- C24H28FN3O2S
- 평균 분자량
- 441.6 g/mol
- 단동위원소 질량
- 441.18862636
이름 및 식별자
- 우선 이름
- 2-Oxazolidinone, 3-(2-(4-(8-fluoro-2-methyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl)-, (+-)-
- IUPAC
- 3-[2-[4-(3-fluoro-8-methyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
이름 및 동의어
59849-49-92-Oxazolidinone, 3-(2-(4-(8-fluoro-2-methyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl)ethyl)-, (+-)-RefChem:264617SCHEMBL11610695DTXSID80975247PUILADRSZIIQMY-UHFFFAOYSA-N3-{2-[4-(8-fluoro-10,11-dihydro-2-methyl-dibenzo [b,f]thiepin-10-yl)-1-piperazinyl]-ethyl}-2-oxazolidinone3-{2-[4-(8-Fluoro-2-methyl-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]ethyl}-1,3-oxazolidin-2-oneracemic 3-{2-[4-(8-fluoro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl }-2-oxazolidinoneracemic 3-{2-[4-(8-fluoro-10,11-dihydro-2-methyl-dibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl}-2-oxazolidinoneracemic 3-{2-[4-(8-fluoro-10,11-dihydro-2-methyldibenzo[b,f]thiepin-10-yl)-1-piperazinyl]-ethyl}-2-oxazolidinone
데이터베이스 식별자
- CAS
59849-49-9- PubChem CID
- 3042509
- DTXSID
DTXSID80975247
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 61.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 632
관련 반응
7건
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