2-(4-{[(4-Methylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid

HCID 1944172
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기본 정보

표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(C)cc4)CC3)nc21
InChIKey
HBJSEDNMLHOIOR-UHFFFAOYSA-N
분자식
C22H24N6O3S
평균 분자량
452.5 g/mol
단동위원소 질량
452.16305982

이름 및 식별자

우선 이름
2-(4-{[(4-Methylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
IUPAC
8-ethyl-2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

이름 및 동의어

CHEMBL5714872-(4-{[(4-Methylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic AcidSCHEMBL1811456HBJSEDNMLHOIOR-UHFFFAOYSA-NBDBM50300218STK772391AKOS0041038698-ethyl-2-{4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid8-ethyl-5-oxo-2-(4-(p-tolylcarbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid8-ETHYL-5-OXO-2-[4-(4-TOLUIDINOCARBOTHIOYL)PIPERAZINO]-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID

데이터베이스 식별자

PubChem CID
1944172
ChEMBL
CHEMBL571487

물성

구조 계산 물성

XLogP
2.4
극성 표면적
134 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
32

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