기본 정보
- 표준 SMILES
COC(=O)CC1c2cccc(F)c2N=C(N2CCN(c3ccc(F)c(C)c3)CC2)N1c1cc(C(F)(F)F)ccc1OC- InChIKey
CUCYIGYTDGGHIU-UHFFFAOYSA-N- 분자식
- C30H29F5N4O3
- 평균 분자량
- 588.6 g/mol
이름 및 식별자
- 우선 이름
- Methyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-4-quinazolinyl}acetate
- IUPAC
- methyl 2-[8-fluoro-2-[4-(4-fluoro-3-methylphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetate
이름 및 동의어
Methyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-4-quinazolinyl}acetateSCHEMBL14427620SCHEMBL30578186methyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1 -piperazinyl]-3-[6-methoxy-3-(trifluoro-methyl)phenyl]-3,4-dihydro-4-quinazolinyl}acetateMethyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)-phenyl]-3,4-dihydro-4-quinazolinyl}acetateMethyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)phenyl]-3,4dihydro-4-quinazolinyl}acetate
데이터베이스 식별자
- PubChem CID
- 58824019
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 57.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 962
관련 반응
2건
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