기본 정보
- 표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(C(F)(F)F)c4)CC3)nc21- InChIKey
USYVBPXJSBDUTJ-UHFFFAOYSA-N- 분자식
- C22H21F3N6O3S
- 평균 분자량
- 506.5 g/mol
이름 및 식별자
- 우선 이름
- 8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 8-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
이름 및 동의어
ML328634175-34-18-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acidCHEMBL585744CID-15178232-(4-{[(3-Trifluoromethylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid8-ethyl-5-oxo-2-(4-((3-(trifluoromethyl)phenyl)carbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acidSR-030000023378-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acidMLS004713614orb1297954
이름 더 보기
SCHEMBL1822082GLXC-03731EX-A6178BDBM50300212STK333894AKOS004105189DA-75620SMR003484266
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 864
관련 반응
1건
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